1816307-67-1 (Sulfatinib,Sulfatinib)

CAS号:
1816307-67-1
中文名称:
Sulfatinib
英文名称:
Sulfatinib
分子式:
C24H28N6O3S
分子量:
480.582523345947

Sulfatinib(1816307-67-1)名称与标识符

名称

中文别名:
Sulfatinib;索凡替尼;
英文别名:
Sulfatinib;surufatinib;KDR-IN-1;HMPL012;N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide;B2K5L1L8S9;N-[2-(dimethylamino)ethyl]-1-[3-({4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl}amino)phenyl]methanesulfonamide;N-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;Benzenemethanesulfonamide, N-[2-(dimethylamino)ethyl]-3-[[4-[(;GLXC-10726;Benzenemethanesulfonamide, N-[2-(dimethylamino)ethyl]-3-[[4-[(2-methyl-1H-indol-5-yl)oxy]-2-pyrimidinyl]amino]-;surufatinibum;Surufatinib [USAN:INN];VEGFR2 inhibitor (WO2011060746);UKI;N-(2-(dimethylamino) ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide;Benzenemethanesulfonamide, N-(2-(dimethylamino)ethyl)-3-((4-((2-methyl-1H-indol-5-yl)oxy)-2-pyrimidinyl)amino)-;HY-12297;D71057;Surufatinib [INN];N-(2-(DIMETHYLAMINO) ETHYL)-1-(3-((4-(2-METHYL-1H-INDOL-5-YLOXY) PYRIMIDIN-2-YL) AMINO) PHENYL) METHANESULFONAMIDE;Surufatinib [USAN];TTZSNFLLYPYKIL-UHFFFAOYSA-N;CHEMBL4297190;SURUFATINIB [WHO-DD];VEGFR2 inhibitor [WO2011060746];Surufatinib (USAN/INN);HMPL-012;BCP14757;Sulfatinib; HMPL-012;UNII-B2K5L1L8S9;DB15106;AS-74954;NSC797937;Sulfatinib?;1308672-74-3;1816307-67-1;D11885;AKOS030632837;Sulfatinib [WHO-DD];CS-5949;NSC-797937;WHO 10349;Sulanda;EX-A2524;SCHEMBL1822601;GTPL9769;AC-35852;DB-230875;

标识符

InChIKey:
TTZSNFLLYPYKIL-UHFFFAOYSA-N
Inchi:
1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)
SMILES:
S(CC1C=CC=C(C=1)NC1N=CC=C(N=1)OC1C=CC2=C(C=1)C=C(C)N2)(NCCN(C)C)(=O)=O

Sulfatinib(1816307-67-1)物化性质

计算特性

  • 精确分子量 : 480.194
  • 氢键供体数量 : 3
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 10
  • 同位素质量 : 480.194
  • 重原子数量 : 34
  • 复杂度 : 733
  • 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) : 3.4
  • 拓扑分子极性表面积 : 121