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

• ChemBase编号: 219528
• 分子式: C24H32N4O4
• 平均质量: 440.53528
• 单一同位素质量: 440.24235552
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC1CCCCCC1)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCN1C(=O)N[C@H](C1=O)CCC(=O)NC1CCCCCC1)c[nH]2
• InChI: InChI=1S/C24H32N4O4/c1-32-18-8-9-20-19(14-18)16(15-25-20)12-13-28-23(30)21(27-24(28)31)10-11-22(29)26-17-6-4-2-3-5-7-17/h8-9,14-15,17,21,25H,2-7,10-13H2,1H3,(H,26,29)(H,27,31)/t21-/m0/s1
• InChIKey: HTZKFGKTJMZEPV-NRFANRHFSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164275438
• PubChem CID: 16409430

理论计算性质

• Acid pKa: 11.919301
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 2.6038647
• LogD (pH = 7.4): 2.603854
• Log P: 2.6038668
• 摩尔折射率: 120.4785 cm^3
• 极化性: 47.839176 Å^3
• 极化表面积: 103.53 Å^2
• 可自由旋转的化学键: 8
• 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