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

• ChemBase ID: 185648
• Molecular Formular: C27H27NO4
• Molecular Mass: 429.50758
• Monoisotopic Mass: 429.19400835
• SMILES: c12c(/c(=N/c3ccc(cc3)OC)/cc(cc2OCC)c2ccc(cc2)OC)c(oc1C)C
• Canonical SMILES: CCOc1cc(c/c(=N\c2ccc(cc2)OC)/c2c1c(C)oc2C)c1ccc(cc1)OC
• InChI: InChI=1S/C27H27NO4/c1-6-31-25-16-20(19-7-11-22(29-4)12-8-19)15-24(26-17(2)32-18(3)27(25)26)28-21-9-13-23(30-5)14-10-21/h7-16H,6H2,1-5H3/b28-24+
• InChIKey: HTNPEPVKCNCLSH-ZZIIXHQDSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241558
• PubChem CID: 1797746

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.061963
• LogD (pH = 7.4): 5.062065
• Log P: 5.0620666
• Molar Refractivity: 131.3915 cm^3
• Polarizability: 48.155056 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