HRID697956
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看条件与参与物HCID68911889
N-[4-({4-[(dimethylphosphoryl)methyl]piperazin-1-yl}methyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(trimethylsilyl)ethynyl]benzamide
N-[4-[[4-(dimethylphosphorylmethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-trimethylsilylethynyl)benzamide
C28H37F3N3O2PSi563.7 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- Cc1ccc(C(=O)Nc2ccc(CN3CCN(CP(C)(C)=O)CC3)c(C(F)(F)F)c2)cc1C#C[Si](C)(C)C
- InChIKey
- AUCIHINMQMTULY-UHFFFAOYSA-N
- 分子式
- C28H37F3N3O2PSi
- 平均分子量
- 563.7 g/mol
- 单同位素质量
- 563.23447545
COMPUTED
结构计算性质
- 极性表面积
- 52.7 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 8
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 927
ALIASES
名称与别名
N-[4-({4-[(dimethylphosphoryl)methyl]piperazin-1-yl}methyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(trimethylsilyl)ethynyl]benzamideSCHEMBL4099939
REACTIONS
参与反应
HRID1255951
uspto-grants-2013_06
作为反应物
uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08461167B2
查看条件与参与物HRID1527885
uspto-grants-2015_07
作为生成物
uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09090561B2
查看条件与参与物HRID1527886
uspto-grants-2015_07
作为反应物
uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09090561B2
查看条件与参与物