4-(4-(3-(4-bromo-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamide
基本情報
- 標準SMILES
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)cc2)ccn1- InChIKey
WINHEDROZCCEOE-UHFFFAOYSA-N- 分子式
- C21H16BrF3N4O3
- 平均分子量
- 509.3 g/mol
名称と識別子
- 優先名称
- 4-(4-(3-(4-bromo-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamide
- IUPAC
- 4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
名称と別名
CHEMBL3507474-(4-(3-(4-bromo-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamideSCHEMBL549001BDBM50139601DB-1265531-(4-(2-(methylcarbamoyl)pyridin-4-yloxy)phenyl)-3-(4-bromo-3-(trifluoromethyl)phenyl)urea1-(4-bromo-3-(trifluoromethyl)phenyl)-3-(4-(2-(methylcarbamoyl)pyridin-4-yloxy)phenyl)urea284462-18-64-{4-[3-(4-Bromo-3-trifluoromethyl-phenyl)-ureido]-phenoxy}-pyridine-2-carboxylic acid methylamideN-(4-bromo-3-(trifluoromethyl)phenyl)- N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) ureaN-(4-bromo-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) ureaN-(4-bromo-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea
データベース識別子
- PubChem CID
- 9849174
- ChEMBL
CHEMBL350747- Nikkaji
- J2.048.446B
物性
構造計算による物性
- XLogP
- 4.1
- 極性表面積
- 92.4 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 5
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 646
関連反応
8 件
化合物ノート
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