2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2-oxo-2H-chromen-6-yl)acetamide

• ChemBase编号: 218236
• 分子式: C23H19NO7
• 平均质量: 421.39946
• 单一同位素质量: 421.11615195
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)Nc1cc2c(oc(=O)cc2)cc1)C
• Canonical SMILES: COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)Nc1ccc2c(c1)ccc(=O)o2
• InChI: InChI=1S/C23H19NO7/c1-12-16(23(27)31-19-10-15(28-2)9-18(29-3)22(12)19)11-20(25)24-14-5-6-17-13(8-14)4-7-21(26)30-17/h4-10H,11H2,1-3H3,(H,24,25)
• InChIKey: ZIHVVWRXGHTCIZ-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-oxo-2H-chromen-6-yl)acetamide
• IUPAC传统名: 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-oxochromen-6-yl)acetamide

登记号

• PubChem SID: 164274146
• PubChem CID: 16408211

理论计算性质

• Acid pKa: 10.878871
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 2.531703
• LogD (pH = 7.4): 2.5315607
• Log P: 2.5317047
• 摩尔折射率: 113.1484 cm^3
• 极化性: 42.468567 Å^3
• 极化表面积: 100.16 Å^2
• 可自由旋转的化学键: 5
• 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