Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看![Methanethione, 1-piperazinyl[2-(trifluoromethyl)phenyl]- 分子结构式](/api/mol/86025958/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- FC(F)(F)c1ccccc1C(=S)N1CCNCC1
- InChIKey
- XCUUPNXLEWJEKY-UHFFFAOYSA-N
- 分子式
- C12H13F3N2S
- 平均分子量
- 274.31 g/mol
- 单同位素质量
- 274.07515408
COMPUTED
结构计算性质
- XLogP
- 2.2
- 极性表面积
- 47.4 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 1
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 300
ALIASES
名称与别名
Methanethione, 1-piperazinyl[2-(trifluoromethyl)phenyl]-SCHEMBL938133piperazin-1-yl-(2-trifluoromethylphenyl)methanethione
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看
uspto-grants-2008_02 · 10.6084/m9.figshare.5104873.v1 · US07335658B2
查看
uspto-grants-2008_02 · 10.6084/m9.figshare.5104873.v1 · US07335658B2
查看
Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
查看
uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07754711B2
查看
uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07754711B2
查看
uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07759348B2
查看