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

• ChemBase编号: 186516
• 分子式: C28H30N2O2
• 平均质量: 426.55
• 单一同位素质量: 426.23072821
• SMILES: c12c(/c(=N/c3ccc(cc3)C)/cc(cc2OCC)c2ccc(N(C)C)cc2)c(oc1C)C
• Canonical SMILES: CCOc1cc(c/c(=N\c2ccc(cc2)C)/c2c1c(C)oc2C)c1ccc(cc1)N(C)C
• InChI: InChI=1S/C28H30N2O2/c1-7-31-26-17-22(21-10-14-24(15-11-21)30(5)6)16-25(27-19(3)32-20(4)28(26)27)29-23-12-8-18(2)9-13-23/h8-17H,7H2,1-6H3/b29-25+
• InChIKey: LDJZBLXQFWSTEP-XLVZBRSZSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164242426
• PubChem CID: 1801623

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.9529486
• LogD (pH = 7.4): 5.998265
• Log P: 5.998874
• 摩尔折射率: 137.9349 cm^3
• 极化性: 49.73702 Å^3
• 极化表面积: 37.97 Å^2
• 可自由旋转的化学键: 5
• 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