HRID1260933
uspto-grants-2013_06
作为反应物
uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08470816B2
查看HCID86631339
N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-(piperidin-4-ylcarbonyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide Monohydrochloride
N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-(piperidine-4-carbonyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
C27H28Cl3F6N3O2646.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCN(C(=O)C2CCNCC2)C[C@H]1c1ccc(Cl)c(Cl)c1.Cl
- InChIKey
- HXUFHGVVXQKGPK-UULHHVIKSA-N
- 分子式
- C27H28Cl3F6N3O2
- 平均分子量
- 646.9 g/mol
- 单同位素质量
- 645.115129
COMPUTED
结构计算性质
- 极性表面积
- 52.7 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 4
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 878
ALIASES
名称与别名
N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-(piperidin-4-ylcarbonyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide MonohydrochlorideSCHEMBL4157917
REACTIONS