(4E)-6-(3,4-dimethoxyphenyl)-8-ethoxy-1,3-dimethyl-N-(3-methylphenyl)-4H-cyclohepta[c]furan-4-imine

• ChemBase编号: 185742
• 分子式: C28H29NO4
• 平均质量: 443.53416
• 单一同位素质量: 443.20965841
• SMILES: c12c(/c(=N/c3cc(ccc3)C)/cc(cc2OCC)c2cc(c(cc2)OC)OC)c(oc1C)C
• Canonical SMILES: CCOc1cc(c/c(=N\c2cccc(c2)C)/c2c1c(C)oc2C)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C28H29NO4/c1-7-32-26-16-21(20-11-12-24(30-5)25(15-20)31-6)14-23(27-18(3)33-19(4)28(26)27)29-22-10-8-9-17(2)13-22/h8-16H,7H2,1-6H3/b29-23+
• InChIKey: JFINNVVIAOWJTM-BYNJWEBRSA-N

名称和登记号

名称

• IUPAC标准名: (4E)-6-(3,4-dimethoxyphenyl)-8-ethoxy-1,3-dimethyl-N-(3-methylphenyl)-4H-cyclohepta[c]furan-4-imine
• IUPAC传统名: (4E)-6-(3,4-dimethoxyphenyl)-8-ethoxy-1,3-dimethyl-N-(3-methylphenyl)cyclohepta[c]furan-4-imine

登记号

• PubChem SID: 164241652
• PubChem CID: 1558819

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.575446
• LogD (pH = 7.4): 5.575487
• Log P: 5.5754876
• 摩尔折射率: 136.4327 cm^3
• 极化性: 49.923378 Å^3
• 极化表面积: 53.19 Å^2
• 可自由旋转的化学键: 6
• 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