HCID9803384

(R)-3-[N-(3-fluoro-5-(trifluoromethyl)benzoyl)glycyl]amino-1-(3,5-dimethylisoxazol-4-ylmethyl)pyrrolidine

N-[2-[[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)benzamide

C20H22F4N4O3442.4 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1noc(C)c1CN1CC[C@@H](NC(=O)CNC(=O)c2cc(F)cc(C(F)(F)F)c2)C1
InChIKey: IXYKUCIPFOJIQD-MRXNPFEDSA-N
分子式: C20H22F4N4O3
平均分子量: 442.4 g/mol
单同位素质量: 442.16280322

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 87.5 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 6
重原子: 31
形式电荷: 0
复杂度: 650

ALIASES

名称与别名

共 4 条

(R)-3-[N-(3-fluoro-5-(trifluoromethyl)benzoyl)glycyl]amino-1-(3,5-dimethylisoxazol-4-ylmethyl)pyrrolidine(R)-3-[N-(3-fluoro-5-(trifluoromethyl)benzoyl}glycyl]amino-1-(3,5-dimethylisoxazol-4-ylmethyl)pyrrolidine(R)-3-[N-[3-fluoro-5-(trifluoromethyl)benzoyl]glycyl]amino-1-(3,5-dimethylisoxazol-4-ylmethyl)pyrrolidineSCHEMBL4846496

REACTIONS