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

• ChemBase编号: 212803
• 分子式: C19H19NO6
• 平均质量: 357.35726
• 单一同位素质量: 357.12123733
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)NCc1occc1)C
• Canonical SMILES: COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)NCc1ccco1
• InChI: InChI=1S/C19H19NO6/c1-11-14(9-17(21)20-10-12-5-4-6-25-12)19(22)26-16-8-13(23-2)7-15(24-3)18(11)16/h4-8H,9-10H2,1-3H3,(H,20,21)
• InChIKey: BAFDMDDZBNJDQG-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-(furan-2-ylmethyl)acetamide
• IUPAC传统名: 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(furan-2-ylmethyl)acetamide

登记号

• PubChem SID: 164268713
• PubChem CID: 4965932

理论计算性质

• Acid pKa: 12.925118
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.4887422
• LogD (pH = 7.4): 1.4887412
• Log P: 1.4887422
• 摩尔折射率: 93.1029 cm^3
• 极化性: 35.82407 Å^3
• 极化表面积: 87.0 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