6-[(3-Chloro-2-fluoro-phenyl)methyl]-1-[1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid
6-[(3-Chloro-2-fluoro-phenyl)methyl]-1-[1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid · CAS 1131640-69-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 6-[(3-Chloro-2-fluoro-phenyl)methyl]-1-[1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid
- CAS
- 1131640-69-1
- CID
- 23083982
- IUPAC 名称
- 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxoquinoline-3-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 6-[(3-Chloro-2-fluoro-phenyl)methyl]-1-[1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid
- CAS
- 1131640-69-1
- CID
- 23083982
- IUPAC 名称
- 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxoquinoline-3-carboxylic acid
分子属性
- 分子式
- C23H23ClFNO5
- 分子量
- 447.9 g/mol
- 精确质量
- 447.1248787 Da
- 单同位素质量
- 447.1248787 Da
- XLogP
- 5.3
- 极性表面积
- 87.1 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 7
- 重原子数
- 31
- 净电荷
- 0
- 结构复杂度
- 701
结构标识
- InChIKey
- JUZYLCPPVHEVSV-UHFFFAOYSA-N
- SMILES
- CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O
- InChI
- InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)