2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(3,4,5-trimethoxyphenyl)acetamide

• ChemBase编号: 218377
• 分子式: C24H23NO7
• 平均质量: 437.44192
• 单一同位素质量: 437.14745208
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CC(=O)Nc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(NC(=O)Cc2c(=O)oc3c(c2C)cc2c(c3)occ2C)cc(c1OC)OC
• InChI: InChI=1S/C24H23NO7/c1-12-11-31-18-10-19-16(8-15(12)18)13(2)17(24(27)32-19)9-22(26)25-14-6-20(28-3)23(30-5)21(7-14)29-4/h6-8,10-11H,9H2,1-5H3,(H,25,26)
• InChIKey: IOVIOMILNWXPCV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
• IUPAC传统名: 2-{3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl}-N-(3,4,5-trimethoxyphenyl)acetamide

登记号

• PubChem SID: 164274287
• PubChem CID: 16408345

理论计算性质

• Acid pKa: 10.938659
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 3.2364628
• LogD (pH = 7.4): 3.2363389
• Log P: 3.2364645
• 摩尔折射率: 118.0033 cm^3
• 极化性: 45.72367 Å^3
• 极化表面积: 96.23 Å^2
• 可自由旋转的化学键: 6
• 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