uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08163793B2
查看![(2S,4R)-4-(2-Chloro-benzenesulfonyl)-1-[2-(2-chloro-pyridin-4-yl)-5-methyl-2H-pyrazol-3-yl]-pyrrolidine-2-carboxylic Acid Methyl Ester 分子结构式](/api/mol/86646821/svg/360x280.svg)
HCID86646821
(2S,4R)-4-(2-Chloro-benzenesulfonyl)-1-[2-(2-chloro-pyridin-4-yl)-5-methyl-2H-pyrazol-3-yl]-pyrrolidine-2-carboxylic Acid Methyl Ester
methyl (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[2-(2-chloro-4-pyridinyl)-5-methylpyrazol-3-yl]pyrrolidine-2-carboxylate
C21H20Cl2N4O4S495.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1c1cc(C)nn1-c1ccnc(Cl)c1
- InChIKey
- VVOIAVHYPGZOEH-WBVHZDCISA-N
- 分子式
- C21H20Cl2N4O4S
- 平均分子量
- 495.4 g/mol
- 单同位素质量
- 494.0582317
COMPUTED
结构计算性质
- XLogP
- 4.4
- 极性表面积
- 103 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 6
- 重原子
- 32
- 形式电荷
- 0
- 复杂度
- 782
ALIASES
名称与别名
SCHEMBL2104296VVOIAVHYPGZOEH-WBVHZDCISA-N(2S,4R)-4-(2-Chloro-benzenesulfonyl)-1-[2-(2-chloro-pyridin-4-yl)-5-methyl-2H-pyrazol-3-yl]-pyrrolidine-2-carboxylic Acid Methyl Ester
REACTIONS
参与反应
uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08163793B2
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