5-methoxy-3-(4-methoxyphenyl)-10-{2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl}-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione

• ChemBase编号: 227519
• 分子式: C32H25NO7
• 平均质量: 535.5434
• 单一同位素质量: 535.16310215
• SMILES: c1(c(=O)n2c3c(c1)cccc3CCC2)C1c2c3c(c(=O)c(co3)c3ccc(cc3)OC)c(cc2OC(=O)C1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1cc2cccc3c2n(c1=O)CCC3
• InChI: InChI=1S/C32H25NO7/c1-37-20-10-8-17(9-11-20)23-16-39-31-27-21(14-26(34)40-25(27)15-24(38-2)28(31)30(23)35)22-13-19-6-3-5-18-7-4-12-33(29(18)19)32(22)36/h3,5-6,8-11,13,15-16,21H,4,7,12,14H2,1-2H3
• InChIKey: AMLDULDQZAJQRJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methoxy-3-(4-methoxyphenyl)-10-{2-oxo-1-azatricyclo[7.3.1.0^5,^1^3]trideca-3,5,7,9(13)-tetraen-3-yl}-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione
• IUPAC传统名: 5-methoxy-3-(4-methoxyphenyl)-10-{2-oxo-1-azatricyclo[7.3.1.0^5,^1^3]trideca-3,5,7,9(13)-tetraen-3-yl}-9H,10H-pyrano[2,3-h]chromene-4,8-dione

登记号

• PubChem SID: 164283429
• PubChem CID: 71754649

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.2105203
• LogD (pH = 7.4): 4.210521
• Log P: 4.210521
• 摩尔折射率: 147.2711 cm^3
• 极化性: 56.063423 Å^3
• 极化表面积: 91.37 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds