N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide

• ChemBase编号: 218322
• 分子式: C25H26N2O5
• 平均质量: 434.48434
• 单一同位素质量: 434.18417194
• SMILES: c1(c2c(oc(=O)c1C)cc(cc2OCC(=O)NCCc1c2c([nH]c1)cc(cc2)OC)C)C
• Canonical SMILES: COc1ccc2c(c1)[nH]cc2CCNC(=O)COc1cc(C)cc2c1c(C)c(c(=O)o2)C
• InChI: InChI=1S/C25H26N2O5/c1-14-9-21(24-15(2)16(3)25(29)32-22(24)10-14)31-13-23(28)26-8-7-17-12-27-20-11-18(30-4)5-6-19(17)20/h5-6,9-12,27H,7-8,13H2,1-4H3,(H,26,28)
• InChIKey: LVPDJJAUHWJOOS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide
• IUPAC传统名: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-[(3,4,7-trimethyl-2-oxochromen-5-yl)oxy]acetamide

登记号

• PubChem SID: 164274232
• PubChem CID: 16408293

理论计算性质

• Acid pKa: 14.906984
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 3.6829967
• LogD (pH = 7.4): 3.6829967
• Log P: 3.6829967
• 摩尔折射率: 121.4129 cm^3
• 极化性: 47.70537 Å^3
• 极化表面积: 89.65 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