HCID67022608

acetic acid (1RS,3RS,4RS)-4-{[1-(2,6-dimethoxy-pyridin-3-yl)methanoyl]amino}-3-(3-ethoxy-4-methoxyphenyl)cyclohexyl ester

[4-[(2,6-dimethoxypyridine-3-carbonyl)amino]-3-(3-ethoxy-4-methoxyphenyl)cyclohexyl] acetate

C25H32N2O7472.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOc1cc(C2CC(OC(C)=O)CCC2NC(=O)c2ccc(OC)nc2OC)ccc1OC
InChIKey: NCVMCKFRVZRENY-UHFFFAOYSA-N
分子式: C25H32N2O7
平均分子量: 472.5 g/mol
单同位素质量: 472.22095136

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 105 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 10
重原子: 34
形式电荷: 0
复杂度: 663

ALIASES

名称与别名

共 5 条

acetic acid (1RS,3RS,4RS)-4-{[1-(2,6-dimethoxy-pyridin-3-yl)methanoyl]amino}-3-(3-ethoxy-4-methoxyphenyl)cyclohexyl esteracetic acid (1RS,3RS,4RS)-4-{[1-(2,6-dimethoxy-pyridin-3-yl]methanoyl]amino}-3-(3-ethoxy-4-methoxyphenyl)cyclohexyl esterSCHEMBL1411398NCVMCKFRVZRENY-UHFFFAOYSA-NAcetic acid (1RS,3RS,4RS)-4-{[1-(2,6-dimethoxy-pyridin-3-yl)methanoy]amino}-3-(3-ethoxy-4-methoxyphenyl)cyclohexyl ester

REACTIONS