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

• ChemBase ID: 185742
• Molecular Formular: C28H29NO4
• Molecular Mass: 443.53416
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241652
• PubChem CID: 1558819

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.575446
• LogD (pH = 7.4): 5.575487
• Log P: 5.5754876
• Molar Refractivity: 136.4327 cm^3
• Polarizability: 49.923378 Å^3
• Polar Surface Area: 53.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds