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

• ChemBase编号: 219054
• 分子式: C23H25NO8
• 平均质量: 443.4465
• 单一同位素质量: 443.15801677
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)Nc1cc(c(c(c1)OC)OC)OC)C
• Canonical SMILES: COc1cc(OC)c2c(c1)oc(=O)c(c2C)CC(=O)Nc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C23H25NO8/c1-12-15(23(26)32-17-10-14(27-2)9-16(28-3)21(12)17)11-20(25)24-13-7-18(29-4)22(31-6)19(8-13)30-5/h7-10H,11H2,1-6H3,(H,24,25)
• InChIKey: NQVFOWAODQKNAC-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-(3,4,5-trimethoxyphenyl)acetamide
• IUPAC传统名: 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

登记号

• PubChem SID: 164274964
• PubChem CID: 16408978

理论计算性质

• Acid pKa: 10.872082
• 质子受体: 7
• 质子供体: 1
• LogD (pH = 5.5): 2.2485754
• LogD (pH = 7.4): 2.248431
• Log P: 2.248577
• 摩尔折射率: 117.0474 cm^3
• 极化性: 44.67729 Å^3
• 极化表面积: 101.55 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