uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440972B2
查看![3-(1-methyl-2,4-dioxo-5-(4-(trifluoromethyl)benzyl)-6-(3-(trifluoromethyl) phenoxy)-1,2-dihydropyrido[2,3-d]pyrimidin-3(4H)-yl)propyl formate 分子结构式](/api/mol/118875882/svg/360x280.svg)
HCID118875882
3-(1-methyl-2,4-dioxo-5-(4-(trifluoromethyl)benzyl)-6-(3-(trifluoromethyl) phenoxy)-1,2-dihydropyrido[2,3-d]pyrimidin-3(4H)-yl)propyl formate
3-[1-methyl-2,4-dioxo-6-[3-(trifluoromethyl)phenoxy]-5-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-3-yl]propyl formate
C27H21F6N3O5581.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cn1c(=O)n(CCCOC=O)c(=O)c2c(Cc3ccc(C(F)(F)F)cc3)c(Oc3cccc(C(F)(F)F)c3)cnc21
- InChIKey
- ZSHPCZCDCIMZRB-UHFFFAOYSA-N
- 分子式
- C27H21F6N3O5
- 平均分子量
- 581.5 g/mol
- 单同位素质量
- 581.13853975
COMPUTED
结构计算性质
- XLogP
- 5.6
- 极性表面积
- 89 Ų
- 氢键供体
- 0
- 氢键受体
- 12
- 可旋转键
- 9
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 926
物化、安全与法规信息正在同步。
ALIASES
名称与别名
3-(1-methyl-2,4-dioxo-5-(4-(trifluoromethyl)benzyl)-6-(3-(trifluoromethyl) phenoxy)-1,2-dihydropyrido[2,3-d]pyrimidin-3(4H)-yl)propyl formateSCHEMBL175095493-(1-methyl-2,4-dioxo-5-(4-(trifluoromethyl)benzyl)-6-(3-(trifluoromethyl)phenoxy)-1,2-dihydro pyrido[2,3-d]pyrimidin-3(4H)-yl)propyl formate
REACTIONS
参与反应
uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440972B2
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