8-methoxy-11-(5-methoxy-1,2-dimethyl-1H-indole-3-carbonyl)-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),8,10-tetraene

• ChemBase编号: 223533
• 分子式: C25H26N2O5
• 平均质量: 434.48434
• 单一同位素质量: 434.18417194
• SMILES: c1(c(n(c2c1cc(cc2)OC)C)C)C(=O)C1=Cc2c(c3c(cc2CCN1C)OCO3)OC
• Canonical SMILES: COc1c2C=C(N(CCc2cc2c1OCO2)C)C(=O)c1c(C)n(c2c1cc(OC)cc2)C
• InChI: InChI=1S/C25H26N2O5/c1-14-22(18-11-16(29-4)6-7-19(18)27(14)3)23(28)20-12-17-15(8-9-26(20)2)10-21-25(24(17)30-5)32-13-31-21/h6-7,10-12H,8-9,13H2,1-5H3
• InChIKey: ORERAVAXTCLKKW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-methoxy-11-(5-methoxy-1,2-dimethyl-1H-indole-3-carbonyl)-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene
• IUPAC传统名: 8-methoxy-11-(5-methoxy-1,2-dimethylindole-3-carbonyl)-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene

登记号

• PubChem SID: 164279443
• PubChem CID: 49652299

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.4094253
• LogD (pH = 7.4): 3.4197605
• Log P: 3.419894
• 摩尔折射率: 123.707 cm^3
• 极化性: 47.412632 Å^3
• 极化表面积: 62.16 Å^2
• 可自由旋转的化学键: 4
• 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