基本情報
- 標準SMILES
Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ccccc3O)c(Cl)cc2F)c1=O- InChIKey
MZCRXKRKAGVBBW-UHFFFAOYSA-N- 分子式
- C18H11ClF4N2O4
- 平均分子量
- 430.7 g/mol
名称と識別子
- 優先名称
- 2-(2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenol
- IUPAC
- 3-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
名称と別名
2-(2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy)phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenolSCHEMBL15272842-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1, 2,3,6-tetrahy dropyrimidin-1-yl]phenoxy}phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahy dropyrimidin-1-yl]phenoxy}phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-phenoxy}phenol
データベース識別子
- PubChem CID
- 12115507
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 70.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 3
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 689
関連反応
30 件
化合物ノート
読み込み中…