(4E)-N-(4-ethoxyphenyl)-8-methoxy-6-(4-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-imine

• ChemBase ID: 195105
• Molecular Formular: C27H27NO4
• Molecular Mass: 429.50758
• Monoisotopic Mass: 429.19400835
• SMILES: c12c(/c(=N/c3ccc(cc3)OCC)/cc(cc2OC)c2ccc(cc2)OC)c(oc1C)C
• Canonical SMILES: CCOc1ccc(cc1)/N=c/1\cc(cc(c2c1c(C)oc2C)OC)c1ccc(cc1)OC
• InChI: InChI=1S/C27H27NO4/c1-6-31-23-13-9-21(10-14-23)28-24-15-20(19-7-11-22(29-4)12-8-19)16-25(30-5)27-18(3)32-17(2)26(24)27/h7-16H,6H2,1-5H3/b28-24+
• InChIKey: WEDCCYRYEJLCND-ZZIIXHQDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-N-(4-ethoxyphenyl)-8-methoxy-6-(4-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-imine
• IUPAC Traditional name: (4E)-N-(4-ethoxyphenyl)-8-methoxy-6-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]furan-4-imine

Database IDs

• PubChem SID: 164251015
• PubChem CID: 1798710

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.061965
• LogD (pH = 7.4): 5.062065
• Log P: 5.0620666
• Molar Refractivity: 131.3915 cm^3
• Polarizability: 48.15492 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