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

• ChemBase ID: 195014
• Molecular Formular: C26H25NO3
• Molecular Mass: 399.4816
• Monoisotopic Mass: 399.18344367
• SMILES: c12c(/c(=N/c3cc(ccc3)C)/cc(cc2OC)c2ccc(cc2)OC)c(oc1C)C
• Canonical SMILES: COc1ccc(cc1)c1c/c(=N\c2cccc(c2)C)/c2c(c(c1)OC)c(oc2C)C
• InChI: InChI=1S/C26H25NO3/c1-16-7-6-8-21(13-16)27-23-14-20(19-9-11-22(28-4)12-10-19)15-24(29-5)26-18(3)30-17(2)25(23)26/h6-15H,1-5H3/b27-23+
• InChIKey: ZHKQDGZPGZJJAS-SLEBQGDGSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250924
• PubChem CID: 1798607

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.376309
• LogD (pH = 7.4): 5.3763504
• Log P: 5.376351
• Molar Refractivity: 125.2209 cm^3
• Polarizability: 45.57294 Å^3
• Polar Surface Area: 43.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds