uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440982B2
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1nc(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)s1
- InChIKey
- YYOBDZDHHJTTAY-KDOFPFPSSA-N
- 分子式
- C23H30FN3O3S
- 平均分子量
- 447.6 g/mol
- 单同位素质量
- 447.19919116
COMPUTED
结构计算性质
- XLogP
- 5
- 极性表面积
- 99.8 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 6
- 重原子
- 31
- 形式电荷
- 0
- 复杂度
- 636
ALIASES
名称与别名
YYOBDZDHHJTTAY-KDOFPFPSSA-Nrac-tert-butyl (((2R,3R)-1-(5-(4-fluorophenyl)-2-methylthiazole-4-carbonyl)-3-methylpiperidin-2-yl)methyl)carbamaterac-trans-tert-butyl ((1-(5-(4-fluorophenyl)-2-methylthiazole-4-carbonyl)-3-methylpiperidin-2-yl)methyl)carbamatetert-butyl (((2R,3R)-1-(5-(4-fluorophenyl)-2-methylthiazole-4-carbonyl)-3-methylpiperidin-2-yl)methyl)carbamate
REACTIONS