uspto-grants-2009_03 · 10.6084/m9.figshare.5104873.v1 · US07504508B2
查看![(2S,4R)-3-[3-(4-{4-[Acetyl-(4-chloro-phenyl)-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl}-phenoxy)-propyl]-5-methyl-3H-imidazole-4-carboxylic acid 分子结构式](/api/mol/57595510/svg/360x280.svg)
HCID57595510
(2S,4R)-3-[3-(4-{4-[Acetyl-(4-chloro-phenyl)-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl}-phenoxy)-propyl]-5-methyl-3H-imidazole-4-carboxylic acid
3-[3-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]-5-methylimidazole-4-carboxylic acid
C33H33ClN4O5601.1 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCCCn3cnc(C)c3C(=O)O)cc2)c2ccccc21
- InChIKey
- DYLXKYWIQGMQKH-URAOTHONSA-N
- 分子式
- C33H33ClN4O5
- 平均分子量
- 601.1 g/mol
- 单同位素质量
- 600.2139479
COMPUTED
结构计算性质
- XLogP
- 5.3
- 极性表面积
- 105 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 9
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 969
ALIASES
名称与别名
SCHEMBL4115878DYLXKYWIQGMQKH-URAOTHONSA-N(2S,4R)-3-[3-(4-{4-[Acetyl-(4-chloro-phenyl)-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl}-phenoxy)-propyl]-5-methyl-3H-imidazole-4-carboxylic acid
REACTIONS
参与反应