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

• ChemBase ID: 186516
• Molecular Formular: C28H30N2O2
• Molecular Mass: 426.55
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242426
• PubChem CID: 1801623

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.9529486
• LogD (pH = 7.4): 5.998265
• Log P: 5.998874
• Molar Refractivity: 137.9349 cm^3
• Polarizability: 49.73702 Å^3
• Polar Surface Area: 37.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds