uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · US09133224B2
查看![Diethyl (4-{[4-({5-fluoro-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate 分子结构式](/api/mol/86697687/svg/360x280.svg)
HCID86697687
Diethyl (4-{[4-({5-fluoro-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
2-[[2-[4-(diethoxyphosphorylmethyl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-fluoro-5-[1-(3-hydroxypropyl)pyrazol-4-yl]-N-methylbenzamide
C31H36F4N7O6P709.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3cc(F)c(-c4cnn(CCCO)c4)cc3C(=O)NC)n2)c(OC)c1)OCC
- InChIKey
- UNADNPBDAYVQMD-UHFFFAOYSA-N
- 分子式
- C31H36F4N7O6P
- 平均分子量
- 709.6 g/mol
- 单同位素质量
- 709.24008154
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 162 Ų
- 氢键供体
- 4
- 氢键受体
- 15
- 可旋转键
- 16
- 重原子
- 49
- 形式电荷
- 0
- 复杂度
- 1,080
ALIASES
名称与别名
Diethyl (4-{[4-({5-fluoro-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
REACTIONS
参与反应