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

• ChemBase ID: 195130
• Molecular Formular: C26H25NO4
• Molecular Mass: 415.481
• Monoisotopic Mass: 415.17835829
• SMILES: c12c(/c(=N/c3ccc(cc3)OC)/cc(cc2OC)c2ccc(cc2)OC)c(oc1C)C
• Canonical SMILES: COc1ccc(cc1)/N=c/1\cc(cc(c2c1c(C)oc2C)OC)c1ccc(cc1)OC
• InChI: InChI=1S/C26H25NO4/c1-16-25-23(27-20-8-12-22(29-4)13-9-20)14-19(18-6-10-21(28-3)11-7-18)15-24(30-5)26(25)17(2)31-16/h6-15H,1-5H3/b27-23+
• InChIKey: PHJWZGPQDDWLFI-SLEBQGDGSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251040
• PubChem CID: 1798765

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.705155
• LogD (pH = 7.4): 4.705257
• Log P: 4.7052584
• Molar Refractivity: 126.6429 cm^3
• Polarizability: 46.311665 Å^3
• Polar Surface Area: 53.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds