3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methylphenyl)propanamide

• ChemBase编号: 217890
• 分子式: C23H24N4O3
• 平均质量: 404.46166
• 单一同位素质量: 404.18484065
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)Nc1ccc(cc1)C)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Nc1ccc(cc1)C)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H24N4O3/c1-15-6-8-17(9-7-15)25-21(28)11-10-20-22(29)27(23(30)26-20)13-12-16-14-24-19-5-3-2-4-18(16)19/h2-9,14,20,24H,10-13H2,1H3,(H,25,28)(H,26,30)/t20-/m0/s1
• InChIKey: AIRLRNGTPKELRG-FQEVSTJZSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methylphenyl)propanamide
• IUPAC传统名: 3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methylphenyl)propanamide

登记号

• PubChem SID: 164273800
• PubChem CID: 16407879

理论计算性质

• Acid pKa: 11.918642
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 3.0486887
• LogD (pH = 7.4): 3.0486758
• Log P: 3.0486887
• 摩尔折射率: 114.9997 cm^3
• 极化性: 44.50274 Å^3
• 极化表面积: 94.3 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds