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

• ChemBase编号: 217409
• 分子式: C25H26N2O5
• 平均质量: 434.48434
• 单一同位素质量: 434.18417194
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)C)OC)CC(=O)NCCc1c2c([nH]c1)ccc(c2)OC)C
• Canonical SMILES: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C25H26N2O5/c1-14-9-21(31-4)24-15(2)18(25(29)32-22(24)10-14)12-23(28)26-8-7-16-13-27-20-6-5-17(30-3)11-19(16)20/h5-6,9-11,13,27H,7-8,12H2,1-4H3,(H,26,28)
• InChIKey: LCOLVKDYGSLAHC-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164273319
• PubChem CID: 16407450

理论计算性质

• LogD (pH = 7.4): 3.3293402
• Log P: 3.3293402
• 摩尔折射率: 121.5947 cm^3
• 极化性: 47.70617 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
• Acid pKa: 14.704086
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 3.3293402

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds