HCID70109795

(3aR,10aS)-9-benzyl-2,3,3a,4,9,10a-hexahydrobenzo[b]cyclopenta [e][1,4]diazepin-10(1H)-one

(3aS,10aR)-5-benzyl-1,2,3,3a,10,10a-hexahydrocyclopenta[b][1,5]benzodiazepin-4-one

C19H20N2O292.4 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C1[C@H]2CCC[C@H]2Nc2ccccc2N1Cc1ccccc1
InChIKey: BPLHTDAUIJQLAI-JKSUJKDBSA-N
分子式: C19H20N2O
平均分子量: 292.4 g/mol
单同位素质量: 292.15756327

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 32.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 22
形式电荷: 0
复杂度: 404

ALIASES

名称与别名

共 5 条

SCHEMBL7496122BPLHTDAUIJQLAI-JKSUJKDBSA-N(3aR*,10aS*)-9-benzyl-2,3,3a,4,9,10a-hexahydrobenzo[b]cyclopenta [e][1,4]diazepin-10(1H)-one(3aR*,10aS*)-9-benzyl-2,3,3a,4,9,10a-hexahydrobenzo[b]cyclopenta[e][1,4]-diazepin-10(1H)-one(3aR*,10aS*)-9-benzyl-2,3,3a,4,9,10a-hexahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one

REACTIONS