基本情報
- 標準SMILES
COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1O- InChIKey
DBCXPLBWGBAQKL-UHFFFAOYSA-N- 分子式
- C27H21F2N3O5
- 平均分子量
- 505.5 g/mol
- 単同位体質量
- 505.1449271
名称と識別子
- 優先名称
- N-(3-Fluoro-4-((7-hydroxy-6-methoxyquinolin-4-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
- IUPAC
- 1-N'-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
名称と別名
849217-50-1N-(3-Fluoro-4-((7-hydroxy-6-methoxyquinolin-4-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamideN-[3-Fluoro-4-[(7-hydroxy-6-methoxy-4-quinolinyl)oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamidecyclopropane-1,1-dicarboxylic acid [3-fluoro-4-(7-hydroxy-6-methoxy-quinolin-4-yloxy)-phenyl)-amide (4-fluoro-phenyl)-amideCyclopropane-1,1-dicarboxylic acid [3-fluoro-4-(7-hydroxy-6-methoxy-quinolin-4-yloxy)-phenyl]-amide (4-fluoro-phenyl)-amideorb3136834SCHEMBL4401190SCHEMBL29693516DBCXPLBWGBAQKL-UHFFFAOYSA-NT212453Cyclopropane-1,1-dicarboxylic acid [3'-fluoro-4-(7-hydroxy-6-methoxy-quinolin-4-yloxy)-phenyl]-amide(4-fluoro-phenyl)-amideCyclopropane-1,1-dicarboxylic acid [3-fluoro-4-(7-hydroxy-6-methoxy-quinolin-4-yloxy)-phenyl]-amide(4-fluoro-phenyl)-amide
名称をさらに表示
Cyclopropane-1,1-dicarboxylic acid [3-fluoro-4-(7-hydroxy-6-methoxy-quinolin-4-yloxy)-phenyl]amide(4-fluoro-phenyl)-amideN-[3-Fluoro-4-[(7-hydroxy-6-methoxy-4-quinolinyl)oxy]phenyl]-N -(4-fluorophenyl)-1,1-cyclopropanedicarboxamide
物性
構造計算による物性
- XLogP
- 5.2
- 極性表面積
- 110 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 8
- 回転可能結合数
- 7
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 822
関連反応
22 件
化合物ノート
読み込み中…