HCID67272621

5-Cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8yl)amino]-methyl}-benzoic acid methyl ester

methyl 5-cyano-2-[[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzoate

C27H28N4O2440.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(C#N)ccc1CN(Cc1ncc(C)cc1C)C1CCCc2cccnc21
InChIKey: BPSLXLDTDAXNDC-UHFFFAOYSA-N
分子式: C27H28N4O2
平均分子量: 440.5 g/mol
单同位素质量: 440.22122615

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 79.1 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 7
重原子: 33
形式电荷: 0
复杂度: 705

ALIASES

名称与别名

共 5 条

SCHEMBL2084781BPSLXLDTDAXNDC-UHFFFAOYSA-N5-cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8y1)amino]-methyl}-benzoic acid methyl ester5-cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8yl)-amino]-methyl}-benzoic acid methyl ester5-cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8yl)amino]-methyl}-benzoic acid methyl ester

REACTIONS