8-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

• ChemBase编号: 190543
• 分子式: C26H27N5O5
• 平均质量: 489.52308
• 单一同位素质量: 489.20121899
• SMILES: c12c(nc3n1cc(n3CCc1cc(c(cc1)OC)OC)c1ccc(cc1)OC)n(c(=O)n(c2=O)C)C
• Canonical SMILES: COc1ccc(cc1)c1cn2c(n1CCc1ccc(c(c1)OC)OC)nc1c2c(=O)n(c(=O)n1C)C
• InChI: InChI=1S/C26H27N5O5/c1-28-23-22(24(32)29(2)26(28)33)31-15-19(17-7-9-18(34-3)10-8-17)30(25(31)27-23)13-12-16-6-11-20(35-4)21(14-16)36-5/h6-11,14-15H,12-13H2,1-5H3
• InChIKey: TUVIMODOFCWXAC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
• IUPAC传统名: 8-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-methoxyphenyl)-1,3-dimethylimidazo[1,2-g]purine-2,4-dione

登记号

• PubChem SID: 164246453
• PubChem CID: 1044492

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 2.3803985
• LogD (pH = 7.4): 2.3804
• Log P: 2.3804
• 摩尔折射率: 145.8481 cm^3
• 极化性: 51.45304 Å^3
• 极化表面积: 90.54 Å^2
• 可自由旋转的化学键: 7
• 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