2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(3,4,5-trimethoxyphenyl)acetamide

• ChemBase编号: 218627
• 分子式: C26H27NO7
• 平均质量: 465.49508
• 单一同位素质量: 465.17875221
• SMILES: c12c(c(c(c(=O)o1)CC(=O)Nc1cc(c(c(c1)OC)OC)OC)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: COc1cc(NC(=O)Cc2c(=O)oc3c(c2C)cc2c(c3C)oc(c2C)C)cc(c1OC)OC
• InChI: InChI=1S/C26H27NO7/c1-12-15(4)33-23-14(3)24-18(10-17(12)23)13(2)19(26(29)34-24)11-22(28)27-16-8-20(30-5)25(32-7)21(9-16)31-6/h8-10H,11H2,1-7H3,(H,27,28)
• InChIKey: GEZHKLAAADZDPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
• IUPAC传统名: 2-{2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl}-N-(3,4,5-trimethoxyphenyl)acetamide

登记号

• PubChem SID: 164274537
• PubChem CID: 16408580

理论计算性质

• Acid pKa: 10.937327
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 3.9494457
• LogD (pH = 7.4): 3.9493213
• Log P: 3.9494472
• 摩尔折射率: 128.1942 cm^3
• 极化性: 49.247913 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