HCID59337475

(3S,7S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carboxylic acid methyl ester

methyl (3S,8S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-methyl-2-oxo-6,7,8,9-tetrahydropyrido[4,3-g][1,4]benzoxazine-8-carboxylate

C27H24Cl2N2O5527.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)[C@@H]1Cc2cc3c(cc2CN1)O[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)N3C
InChIKey: GXGPHFVGRDJMNL-DHLKQENFSA-N
分子式: C27H24Cl2N2O5
平均分子量: 527.4 g/mol
单同位素质量: 526.1062273

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 77.1 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 6
重原子: 36
形式电荷: 0
复杂度: 794

ALIASES

名称与别名

共 3 条

SCHEMBL1152108GXGPHFVGRDJMNL-DHLKQENFSA-N(3S,7S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carboxylic acid methyl ester

REACTIONS