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

• ChemBase编号: 226124
• 分子式: C24H24N2O5
• 平均质量: 420.45776
• 单一同位素质量: 420.16852188
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)NCCn1c2c(cc1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)NCCn1ccc2c1ccc(c2)OC
• InChI: InChI=1S/C24H24N2O5/c1-15-19-6-4-18(30-3)13-22(19)31-24(28)20(15)14-23(27)25-9-11-26-10-8-16-12-17(29-2)5-7-21(16)26/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,25,27)
• InChIKey: LIIUKZLZNRYKOH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164282034
• PubChem CID: 71692097

理论计算性质

• Acid pKa: 14.700065
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.8281815
• LogD (pH = 7.4): 2.8281815
• Log P: 2.8281815
• 摩尔折射率: 116.1716 cm^3
• 极化性: 45.94032 Å^3
• 极化表面积: 78.79 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