Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看![[6-Amino-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone 分子结构式](/api/mol/44547360/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(-c2cccc(C(F)(F)F)c2)c(N)nc1C(=O)N1CCC(N2CCCC2)CC1
- InChIKey
- XLCZJGGUHOIBJG-UHFFFAOYSA-N
- 分子式
- C23H27F3N4O
- 平均分子量
- 432.5 g/mol
- 单同位素质量
- 432.21369598
COMPUTED
结构计算性质
- XLogP
- 4.3
- 极性表面积
- 62.5 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 3
- 重原子
- 31
- 形式电荷
- 0
- 复杂度
- 616
ALIASES
名称与别名
[6-amino-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanoneSCHEMBL1420845
REACTIONS
