384801-61-0 ((12-butyl-11-methyl-13-{2-(morpholin-4-yl)ethylamino}-1,8-diazatricyclo7.4.0.0^{2,7}trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile)

CAS号:
384801-61-0
英文名称:
12-butyl-11-methyl-13-{2-(morpholin-4-yl)ethylamino}-1,8-diazatricyclo7.4.0.0^{2,7}trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
分子式:
C23H29N5O
分子量:
391.509264707565

12-butyl-11-methyl-13-{2-(morpholin-4-yl)ethylamino}-1,8-diazatricyclo7.4.0.0^{2,7}trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile(384801-61-0)名称与标识符

名称

英文别名:
12-butyl-11-methyl-13-{2-(morpholin-4-yl)ethylamino}-1,8-diazatricyclo7.4.0.0^{2,7}trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile;2-BU-3-ME-1-((2(4-MORPHOLINYL)ET)AMINO)PYRIDO(1,2-A)BENZIMIDAZOLE-4-CARBONITRILE;12-butyl-11-methyl-13-{[2-(morpholin-4-yl)ethyl]amino}-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile;2-butyl-3-methyl-1-((2-morpholinoethyl)amino)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile;SR-01000502086-1;HMS1483F18;BRD-K83038330-001-01-4;2-butyl-3-methyl-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile;384801-61-0;Oprea1_009436;ChemDiv3_003648;SR-01000502086;2-BUTYL-3-METHYL-1-[(2-MORPHOLINOETHYL)AMINO]PYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE;AKOS001328768;IDI1_021558;F1126-0824;Oprea1_759255;CCG-112980;Z57476062;

标识符

InChIKey:
KWEMNWZOOGFPLJ-UHFFFAOYSA-N
Inchi:
1S/C23H29N5O/c1-3-4-7-18-17(2)19(16-24)23-26-20-8-5-6-9-21(20)28(23)22(18)25-10-11-27-12-14-29-15-13-27/h5-6,8-9,25H,3-4,7,10-15H2,1-2H3
SMILES:
O1CCN(CC1)CCNC1=C(C(C)=C(C#N)C2=NC3C=CC=CC=3N12)CCCC

12-butyl-11-methyl-13-{2-(morpholin-4-yl)ethylamino}-1,8-diazatricyclo7.4.0.0^{2,7}trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile(384801-61-0)物化性质

计算特性

  • 精确分子量 : 391.23721057g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 7
  • 同位素质量 : 391.23721057g/mol
  • 重原子数量 : 29
  • 复杂度 : 571
  • 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) : 5.1
  • 拓扑分子极性表面积 : 65.6Ų