(4E)-6-(4-ethoxyphenyl)-8-methoxy-N-(2-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-imine

• ChemBase ID: 201272
• Molecular Formular: C27H27NO4
• Molecular Mass: 429.50758
• Monoisotopic Mass: 429.19400835
• SMILES: c12c(/c(=N/c3c(OC)cccc3)/cc(cc2OC)c2ccc(cc2)OCC)c(oc1C)C
• Canonical SMILES: CCOc1ccc(cc1)c1c/c(=N\c2ccccc2OC)/c2c(c(c1)OC)c(oc2C)C
• InChI: InChI=1S/C27H27NO4/c1-6-31-21-13-11-19(12-14-21)20-15-23(28-22-9-7-8-10-24(22)29-4)26-17(2)32-18(3)27(26)25(16-20)30-5/h7-16H,6H2,1-5H3/b28-23+
• InChIKey: BBJXKPFUBYWUQZ-WEMUOSSPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-6-(4-ethoxyphenyl)-8-methoxy-N-(2-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-imine
• IUPAC Traditional name: (4E)-6-(4-ethoxyphenyl)-8-methoxy-N-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]furan-4-imine

Database IDs

• PubChem SID: 164257182
• PubChem CID: 1759486

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.0620646
• LogD (pH = 7.4): 5.0620666
• Log P: 5.0620666
• Molar Refractivity: 131.3915 cm^3
• Polarizability: 48.157955 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