(R)-1-(4-(3-fluoro-4-(7-methoxyquinolin-4-yloxy)phenylcarbamoyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazol-1-yl)propan-2-yl 2-(dimethylamino)acetate
基本情報
- 標準SMILES
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)OC(=O)CN(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1- InChIKey
ZPGVUHTZQIEBSN-OAQYLSRUSA-N- 分子式
- C34H34FN5O6
- 平均分子量
- 627.7 g/mol
名称と識別子
- 優先名称
- (R)-1-(4-(3-fluoro-4-(7-methoxyquinolin-4-yloxy)phenylcarbamoyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazol-1-yl)propan-2-yl 2-(dimethylamino)acetate
- IUPAC
- [(2R)-1-[4-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(dimethylamino)acetate
名称と別名
SCHEMBL373698ZPGVUHTZQIEBSN-OAQYLSRUSA-N(R)-1-(4-(3-fluoro-4-(7-methoxyquinolin-4-yloxy)phenylcarbamoyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazol-1-yl)propan-2-yl 2-(dimethylamino)acetate(R)-1-(4-(4-(7-methoxyquinolin-4-yloxy)-3-fluorophenyl-carbamoyl)-2,3-dihydro-5-methyl-3-oxo-2-phenylpyrazol-1-yl)propan-2-yl 2-(dimethyl-amino)acetate(R)-1-(4-(4-(7-methoxyquinolin-4-yloxy)-3-fluorophenylcarbamoyl)-2,3-dihydro-5-methyl-3-oxo-2-phenylpyrazol-1-yl)propan-2-yl 2-(dimethylamino)acetate
データベース識別子
- PubChem CID
- 46938003
物性
構造計算による物性
- XLogP
- 5.3
- 極性表面積
- 114 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 10
- 回転可能結合数
- 12
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 1,120
関連反応
6 件
化合物ノート
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