144236-70-4 ((1H-Pyrrole-2-carboxamide,4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-)

CAS号:
144236-70-4
英文名称:
1H-Pyrrole-2-carboxamide,4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-
分子式:
C40H42N10O5
分子量:
742.825487613678

1H-Pyrrole-2-carboxamide,4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-(144236-70-4)名称与标识符

名称

英文别名:
1H-Pyrrole-2-carboxamide,4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-;1H-Pyrrole-2-carboxamide,4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[[...;1H-Pyrrole-2-carboxamide,4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[[3-[(9-methoxy-5,11-dimethyl-6H-;1H-Pyrrole-2-carboxamide,4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]amino]carbonyl]-1-methyl-1H-pyrrol-;4-formamido-N-[5-[[5-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-(((4-(Formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((3-((9-methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazol-1-yl)amino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide;Dista-ellipt;Distamycin-ellipticine hydbrid;Distel(1+);Distel,distamycin-ellipticine hybrid;N-(5-((3-(1-((5,11-Dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)amino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4;1H-Pyrrole-2-carboxamide, 4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((3-((9-methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazol-1-yl)amino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-;144236-70-4;Distel;1H-Pyrrole-2-carboxamide, 4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((3-((9-methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazole-1-yl)amino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-;N-(5-((3-(1-((5,11-Dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)amino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-1H-pyrrole-2-carboxamide;N-(5-((N-(5,11-Dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-3-aminopropyl)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-1H-pyrrole-2-carboxamide;DTXSID80162655;

标识符

InChIKey:
GQUAIKWWRYLALG-UHFFFAOYSA-N
Inchi:
1S/C40H42N10O5/c1-22-28-10-13-42-37(35(28)23(2)34-29-17-27(55-6)8-9-30(29)47-36(22)34)41-11-7-12-43-38(52)31-15-25(19-49(31)4)45-40(54)33-16-26(20-50(33)5)46-39(53)32-14-24(44-21-51)18-48(32)3/h8-10,13-21,47H,7,11-12H2,1-6H3,(H,41,42)(H,43,52)(H,44,51)(H,45,54)(H,46,53)
SMILES:
O(C)C1C=CC2=C(C=1)C1C(C)=C3C(=NC=CC3=C(C)C=1N2)NCCCNC(C1=CC(=CN1C)NC(C1=CC(=CN1C)NC(C1=CC(=CN1C)NC=O)=O)=O)=O

1H-Pyrrole-2-carboxamide,4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-(144236-70-4)物化性质

实验特性

  • 折射率 : 1.703
  • 沸点 : 970.6°Cat760mmHg
  • 闪点 : 540.8°C
  • 密度 : 1.39

计算特性

  • 精确分子量 : 742.334
  • 氢键供体数量 : 6
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 12
  • 同位素质量 : 742.334
  • 重原子数量 : 55
  • 复杂度 : 1380
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.5
  • 拓扑分子极性表面积 : 181Ų

1H-Pyrrole-2-carboxamide,4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-(144236-70-4)相关文献