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

• ChemBase编号: 219128
• 分子式: C24H34N4O4
• 平均质量: 442.55116
• 单一同位素质量: 442.25800559
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCCCCCCC)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: CCCCCCCNC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C24H34N4O4/c1-3-4-5-6-7-13-25-22(29)11-10-21-23(30)28(24(31)27-21)14-12-17-16-26-20-9-8-18(32-2)15-19(17)20/h8-9,15-16,21,26H,3-7,10-14H2,1-2H3,(H,25,29)(H,27,31)/t21-/m0/s1
• InChIKey: DDQJJZBLUMYJTN-NRFANRHFSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164275038
• PubChem CID: 16409046

理论计算性质

• Acid pKa: 11.802545
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 3.0176318
• LogD (pH = 7.4): 3.0176156
• Log P: 3.0176327
• 摩尔折射率: 122.5399 cm^3
• 极化性: 48.565273 Å^3
• 极化表面积: 103.53 Å^2
• 可自由旋转的化学键: 13
• 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