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

• ChemBase编号: 212790
• 分子式: C23H25NO7
• 平均质量: 427.4471
• 单一同位素质量: 427.16310215
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)NCc1c(cc(cc1)OC)OC)C
• Canonical SMILES: COc1ccc(c(c1)OC)CNC(=O)Cc1c(=O)oc2c(c1C)c(OC)cc(c2)OC
• InChI: InChI=1S/C23H25NO7/c1-13-17(23(26)31-20-10-16(28-3)9-19(30-5)22(13)20)11-21(25)24-12-14-6-7-15(27-2)8-18(14)29-4/h6-10H,11-12H2,1-5H3,(H,24,25)
• InChIKey: QYSSLMBESNBQJJ-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-[(2,4-dimethoxyphenyl)methyl]acetamide
• IUPAC传统名: 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]acetamide

登记号

• PubChem SID: 164268700
• PubChem CID: 4965889

理论计算性质

• Acid pKa: 14.408805
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 2.1131532
• LogD (pH = 7.4): 2.113153
• Log P: 2.1131532
• 摩尔折射率: 113.6384 cm^3
• 极化性: 43.974934 Å^3
• 极化表面积: 92.32 Å^2
• 可自由旋转的化学键: 8
• 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