基本情報
- 標準SMILES
COC(=O)C(C)Oc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl- InChIKey
MSVZCNKHTOXHNW-UHFFFAOYSA-N- 分子式
- C22H17ClF4N2O6
- 平均分子量
- 516.8 g/mol
名称と識別子
- 優先名称
- Methyl 2-[2-(2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]propionate
- IUPAC
- methyl 2-[2-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]phenoxy]propanoate
名称と別名
methyl 2-[2-(2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl) -1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]propionateMethyl 2-[2-(2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]propionatemethyl 2-[2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl) -1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]propionatemethyl 2-[2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]propionateSCHEMBL3140584methyl 2-[2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetra hydropyrimidin-1-yl]phenoxy}phenoxy]propionatemethyl 2-[2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]-propionate
データベース識別子
- PubChem CID
- 12115508
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 85.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 10
- 回転可能結合数
- 7
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 856
関連反応
20 件
化合物ノート
読み込み中…