N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-[2-oxo-1-(propan-2-yl)-2,3-dihydro-1H-indol-3-yl]ethanediamide

• ChemBase编号: 218828
• 分子式: C24H26N4O4
• 平均质量: 434.48764
• 单一同位素质量: 434.19540533
• SMILES: C1(=O)N(c2c(C1NC(=O)C(=O)NCCc1c3c([nH]c1)ccc(c3)OC)cccc2)C(C)C
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)C(=O)NC1c3ccccc3N(C1=O)C(C)C)c[nH]2
• InChI: InChI=1S/C24H26N4O4/c1-14(2)28-20-7-5-4-6-17(20)21(24(28)31)27-23(30)22(29)25-11-10-15-13-26-19-9-8-16(32-3)12-18(15)19/h4-9,12-14,21,26H,10-11H2,1-3H3,(H,25,29)(H,27,30)
• InChIKey: FRBNEIIMQFSNDO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-[2-oxo-1-(propan-2-yl)-2,3-dihydro-1H-indol-3-yl]ethanediamide
• IUPAC传统名: N-(1-isopropyl-2-oxo-3H-indol-3-yl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanediamide

登记号

• PubChem SID: 164274738
• PubChem CID: 16408774

理论计算性质

• Acid pKa: 11.487894
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 2.0368578
• LogD (pH = 7.4): 2.0368268
• Log P: 2.0368583
• 摩尔折射率: 119.7388 cm^3
• 极化性: 47.09046 Å^3
• 极化表面积: 103.53 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