HCID11994754

4-[(5S,9R)-3-(3,5-Dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-9-yl]-benzonitrile

4-[(5S,9R)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl]benzonitrile

C20H16Cl2N4O2415.3 g/mol

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IDENTITY

结构与身份

标准SMILES: CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CNC[C@H]2c1ccc(C#N)cc1
InChIKey: XEANMEGOYUBDBY-FXAWDEMLSA-N
分子式: C20H16Cl2N4O2
平均分子量: 415.3 g/mol
单同位素质量: 414.0650312

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 76.4 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 28
形式电荷: 0
复杂度: 692

ALIASES

名称与别名

共 5 条

SCHEMBL3843150XEANMEGOYUBDBY-FXAWDEMLSA-N4-[(5S*,9R*)-3-(3,5-Dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-9-yl]-benzonitrile4-[(5S, 9R)-3-(3,5-Dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-9-yl]-benzonitrile4-[(5S,9R)-3-(3,5-Dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-9-yl]-benzonitrile

REACTIONS