Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl-1,3-thiazole-5-carboxylic acid 分子结构式](/api/mol/66696802/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- O=C(O)c1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1
- InChIKey
- ZCEYLTYPOKBDLW-UHFFFAOYSA-N
- 分子式
- C16H15F3N2O3S
- 平均分子量
- 372.4 g/mol
- 单同位素质量
- 372.075548
COMPUTED
结构计算性质
- XLogP
- 4.4
- 极性表面积
- 90.9 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 4
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 472
ALIASES
名称与别名
SCHEMBL4729892-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}-1,3-thiazole-5-carboxylic acid4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl -1,3-thiazole-5-carboxylic acid4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl-1,3-thiazole-5-carboxylic acid
REACTIONS
