28611-28-1 ((7-bromo-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one)

CAS号:
28611-28-1
英文名称:
7-bromo-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
分子式:
C16H13BrN2O
分子量:
329.191222906113

7-bromo-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one(28611-28-1)名称与标识符

名称

英文别名:
2H-1,4-Benzodiazepin-2-one,7-bromo-1,3-dihydro-1-methyl-5-phenyl-;2H-1,4-Benzodiazpin-2-one,7-bromo-1,3-dihydro-1-methyl-5-phenyl-;BD 8;7-Bromo-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one;ChemDiv1_019260;Cambridge id 5647776;Oprea1_610151;Oprea1_558682;BD-8;HMS641L10;FLEQTIDRWGGTRR-UHFFFAOYSA-N;BDBM50083911;STK862273;7-bromo-1-methyl-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one;ST50299857;Z2199801907;7-bromo-1-methyl-5-phenyl-3H-benzo[f]1,4-diazepin-2-one;7-bromo-1-methyl-5-phenyl-;7-bromo-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one;

标识符

MDL:
MFCD00981681
InChIKey:
FLEQTIDRWGGTRR-UHFFFAOYSA-N
Inchi:
1S/C16H13BrN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
SMILES:
BrC1C=CC2=C(C=1)C(C1C=CC=CC=1)=NCC(N2C)=O

7-bromo-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one(28611-28-1)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 重原子数量 : 20
  • 复杂度 : 403
  • 疏水参数计算参考值(XlogP) : 3.1
  • 拓扑分子极性表面积 : 32.7