名称: methyl 2-[[3-[2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluorophenoxy]-2-pyridinyl]oxy]acetate
SMILES:
COC(=O)COC1=C(C=CC=N1)OC2=C(C=C(C(=C2)N3C(=O)C=C(NC3=O)C(F)(F)F)F)Cl分子加工
分子式
C19H12ClF4N3O6
分子量
489.77
精确质量
489.0351
XLogP
3.08
TPSA
112.51
氢键给体数
1
氢键受体数
7
可旋转键
6
重原子数
33
环数
3
芳香环
3
饱和环
0
脂环
0
立体中心
0
未定义立体
0
形式电荷
0
杂原子数
14
共价单元
1
sp3占比
0.158
摩尔折射率
104.45
补充信息
InChIKey: MJZHOWKPNZUBPL-UHFFFAOYSA-N
同义词
3-{2-chloro-4-fluoro-5-[2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-(methoxycarbonyl)methoxypyridineSCHEMBL6638343methyl [3-{2-chloro-4-fluoro-5-[2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrim idin-1-yl]phenoxy}-2-pyridyloxy]acetatemethyl [3-{2-chloro-4-fluoro-5-[2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-pyridyloxy]-acetatemethyl [3-{2-chloro-4-fluoro-5-[2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-pyridyloxy]acetate
参与 7 个反应→