HCID20506148

5-(o-chlorophenyl)-1-(2-diethylaminoethyl)-1,3-dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzodiazepin-2-one

5-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one

C23H27ClN4O3442.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CCN(CC)CCN1C(=O)C(C)(C)N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc21
InChIKey: ZGKAWINYYFUNQI-UHFFFAOYSA-N
分子式: C23H27ClN4O3
平均分子量: 442.9 g/mol
单同位素质量: 442.1771684

COMPUTED

结构计算性质

已同步

XLogP: 4.4
极性表面积: 81.7 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 6
重原子: 31
形式电荷: 0
复杂度: 689

ALIASES

名称与别名

共 4 条

SCHEMBL11142540ZGKAWINYYFUNQI-UHFFFAOYSA-N5-(o-chlorophenyl)-1,3-dihyro-1-(2-diethylaminoethyl)-3,3-dimethyl-7-nitro-2H-1,4-benzodiazepin-2-one5-(o-chlorophenyl)-1-(2-diethylaminoethyl)-1,3-dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzodiazepin-2-one

REACTIONS

参与反应

2 条

uspto-grants-1983_03 · 10.6084/m9.figshare.5104873.v1 · US04377522

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uspto-grants-1983_03 · 10.6084/m9.figshare.5104873.v1 · US04377522

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