uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07538072B2
查看![Cyclopentyl [3-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-pyridyloxy]acetate 分子结构式](/api/mol/12056738/svg/360x280.svg)
HCID12056738
Cyclopentyl [3-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-pyridyloxy]acetate
cyclopentyl 2-[[3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]-2-pyridinyl]oxy]acetate
C24H20ClF4N3O6557.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3cccnc3OCC(=O)OC3CCCC3)c(Cl)cc2F)c1=O
- InChIKey
- VKBSDLZFTWMLRK-UHFFFAOYSA-N
- 分子式
- C24H20ClF4N3O6
- 平均分子量
- 557.9 g/mol
- 单同位素质量
- 557.0976757
COMPUTED
结构计算性质
- XLogP
- 4.5
- 极性表面积
- 98.3 Ų
- 氢键供体
- 0
- 氢键受体
- 11
- 可旋转键
- 8
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 931
ALIASES
名称与别名
cyclopentyl [3-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-pyridyloxy]acetateSCHEMBL13843027cyclopentyl [3-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrah ydropyrimidin-1-yl]phenoxy}-2-pyridyloxy]acetate
REACTIONS
