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

• ChemBase编号: 217578
• 分子式: C23H30N4O3
• 平均质量: 410.5093
• 单一同位素质量: 410.23179084
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC1CCCCCC1)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(NC1CCCCCC1)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H30N4O3/c28-21(25-17-7-3-1-2-4-8-17)12-11-20-22(29)27(23(30)26-20)14-13-16-15-24-19-10-6-5-9-18(16)19/h5-6,9-10,15,17,20,24H,1-4,7-8,11-14H2,(H,25,28)(H,26,30)/t20-/m0/s1
• InChIKey: HRPRZQZGZLSMTO-FQEVSTJZSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164273488
• PubChem CID: 16407577

理论计算性质

• Acid pKa: 12.18343
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 2.7615361
• LogD (pH = 7.4): 2.761531
• Log P: 2.761538
• 摩尔折射率: 114.0153 cm^3
• 极化性: 45.31775 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