HCID11691965

N-{2-[7-(2-Cyano-benzyl)-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl]-ethyl}-N-[2-(4-cyano-phenoxy)-ethyl]-methanesulfonamide

N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-[(2-cyanophenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide

C26H31N5O4S509.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)N(CCOc1ccc(C#N)cc1)CCN1CC2CN(Cc3ccccc3C#N)CC(C1)O2
InChIKey: YKYOSDNCVRXWSU-UHFFFAOYSA-N
分子式: C26H31N5O4S
平均分子量: 509.6 g/mol
单同位素质量: 509.20967566

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 118 Å²
氢键供体: 0
氢键受体: 9
可旋转键: 10
重原子: 36
形式电荷: 0
复杂度: 900

ALIASES

名称与别名

共 4 条

SCHEMBL4515716YKYOSDNCVRXWSU-UHFFFAOYSA-NN-{2-[7-(2-Cyano-benzyl)-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl]-ethyl}-N-[2-(4-cyano-phenoxy)-ethyl]-methane sulfonamideN-{2-[7-(2-Cyano-benzyl)-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl]-ethyl}-N-[2-(4-cyano-phenoxy)-ethyl]-methanesulfonamide

REACTIONS