N-(2,5-dimethoxyphenyl)-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase编号: 214549
• 分子式: C25H25NO6
• 平均质量: 435.4691
• 单一同位素质量: 435.16818753
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)Nc1cc(ccc1OC)OC)C
• Canonical SMILES: COc1ccc(c(c1)NC(=O)Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)OC
• InChI: InChI=1S/C25H25NO6/c1-12-9-20-23(24-22(12)13(2)15(4)31-24)14(3)17(25(28)32-20)11-21(27)26-18-10-16(29-5)7-8-19(18)30-6/h7-10H,11H2,1-6H3,(H,26,27)
• InChIKey: IQBXLIRNEPJHBA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,5-dimethoxyphenyl)-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC传统名: N-(2,5-dimethoxyphenyl)-2-{2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

登记号

• PubChem SID: 164270459
• PubChem CID: 4967806

理论计算性质

• Acid pKa: 10.789511
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 4.107116
• LogD (pH = 7.4): 4.106942
• Log P: 4.1071186
• 摩尔折射率: 121.731 cm^3
• 极化性: 46.71909 Å^3
• 极化表面积: 87.0 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