uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440982B2
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HCID131737129
rac-cis-(2-(((2-Chloropyrimidin-4-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-(4-fluorophenyl)-2-methylthiazol-4-yl)methanone
[(2R,3S)-2-[[(2-chloropyrimidin-4-yl)amino]methyl]-3-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
C22H23ClFN5OS460 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1nc(C(=O)N2CCC[C@H](C)[C@@H]2CNc2ccnc(Cl)n2)c(-c2ccc(F)cc2)s1
- InChIKey
- XFEYGGDAAUEMDY-GUYCJALGSA-N
- 分子式
- C22H23ClFN5OS
- 平均分子量
- 460 g/mol
- 单同位素质量
- 459.1295874
COMPUTED
结构计算性质
- XLogP
- 5.5
- 极性表面积
- 99.3 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子
- 31
- 形式电荷
- 0
- 复杂度
- 610
ALIASES
名称与别名
XFEYGGDAAUEMDY-GUYCJALGSA-Nrac-cis-(2-(((2-Chloropyrimidin-4-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-(4-fluorophenyl)-2-methylthiazol-4-yl)methanone
REACTIONS
参与反应