N-(4-{[(4E)-8-methoxy-6-(4-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-ylidene]amino}phenyl)acetamide

• ChemBase ID: 195362
• Molecular Formular: C27H26N2O4
• Molecular Mass: 442.50634
• Monoisotopic Mass: 442.18925732
• SMILES: c12c(/c(=N/c3ccc(NC(=O)C)cc3)/cc(cc2OC)c2ccc(cc2)OC)c(oc1C)C
• Canonical SMILES: COc1cc(c/c(=N\c2ccc(cc2)NC(=O)C)/c2c1c(C)oc2C)c1ccc(cc1)OC
• InChI: InChI=1S/C27H26N2O4/c1-16-26-24(29-22-10-8-21(9-11-22)28-18(3)30)14-20(19-6-12-23(31-4)13-7-19)15-25(32-5)27(26)17(2)33-16/h6-15H,1-5H3,(H,28,30)/b29-24+
• InChIKey: NHNKSXSYZLCEDI-RMLRFSFXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[(4E)-8-methoxy-6-(4-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-ylidene]amino}phenyl)acetamide
• IUPAC Traditional name: N-(4-{[(4E)-8-methoxy-6-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]furan-4-ylidene]amino}phenyl)acetamide

Database IDs

• PubChem SID: 164251272
• PubChem CID: 1748822

CALCULATED PROPERTIES

• Acid pKa: 14.349883
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.1006017
• LogD (pH = 7.4): 4.1006393
• Log P: 4.1006403
• Molar Refractivity: 135.0427 cm^3
• Polarizability: 48.670227 Å^3
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds