HCID53973484

N-[2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-2,2,2-trifluoro-N-(quinolin-4-ylmethyl)acetamide

C33H26F9N3O2667.6 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N(Cc2ccnc3ccccc23)C(=O)C(F)(F)F)CC1Cc1ccccc1
InChIKey: JTGHOFNAFYOJNE-UHFFFAOYSA-N
分子式: C33H26F9N3O2
平均分子量: 667.6 g/mol
单同位素质量: 667.18813054

COMPUTED

结构计算性质

已同步

XLogP: 8.1
极性表面积: 53.5 Å²
氢键供体: 0
氢键受体: 12
可旋转键: 6
重原子: 47
形式电荷: 0
复杂度: 1,050

ALIASES

名称与别名

共 3 条

SCHEMBL8926634JTGHOFNAFYOJNE-UHFFFAOYSA-NN-[2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-2,2,2-trifluoro-N-(quinolin-4-ylmethyl)acetamide

REACTIONS