2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

• ChemBase编号: 211032
• 分子式: C24H27NO7
• 平均质量: 441.47368
• 单一同位素质量: 441.17875221
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)NCCc1cc(c(cc1)OC)OC)C
• Canonical SMILES: COc1cc(OC)c2c(c1)oc(=O)c(c2C)CC(=O)NCCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C24H27NO7/c1-14-17(24(27)32-21-12-16(28-2)11-20(31-5)23(14)21)13-22(26)25-9-8-15-6-7-18(29-3)19(10-15)30-4/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,26)
• InChIKey: XWEJXFPRQATEPN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
• IUPAC传统名: 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

登记号

• PubChem SID: 164266942
• PubChem CID: 4837385

理论计算性质

• Acid pKa: 14.554634
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 2.4018142
• LogD (pH = 7.4): 2.4018142
• Log P: 2.4018142
• 摩尔折射率: 118.3934 cm^3
• 极化性: 45.813217 Å^3
• 极化表面积: 92.32 Å^2
• 可自由旋转的化学键: 9
• 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