HCID58646586

(2S)-2-methoxy-3-(4-{2-oxo-2-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-ethoxy}-phenyl)-propionic acid

(2S)-2-methoxy-3-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]propanoic acid

C23H25F3N2O5466.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CO[C@@H](Cc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1)C(=O)O
InChIKey: NCVJBVDWOWTSQQ-FQEVSTJZSA-N
分子式: C23H25F3N2O5
平均分子量: 466.4 g/mol
单同位素质量: 466.17155639

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 79.3 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 8
重原子: 33
形式电荷: 0
复杂度: 638

ALIASES

名称与别名

共 3 条

(2S)-2-methoxy-3-(4-{2-oxo-2-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-ethoxy}-phenyl)-propionic acidSCHEMBL3964028(2S)-2-methoxy-3-(4-{2-oxo-2-[4-(4-trifluoromethyl-phenyl)-piperazin 1-yl]-ethoxy}-phenyl)-propionic acid

REACTIONS