(4E)-2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-4H-chromen-4-imine

• ChemBase ID: 193967
• Molecular Formular: C24H21NO3
• Molecular Mass: 371.42844
• Monoisotopic Mass: 371.15214354
• SMILES: c\1(=N/c2cc(ccc2)C)/cc(oc2c1cccc2)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1c/c(=N\c2cccc(c2)C)/c2c(o1)cccc2
• InChI: InChI=1S/C24H21NO3/c1-16-7-6-8-18(13-16)25-20-15-23(28-21-10-5-4-9-19(20)21)17-11-12-22(26-2)24(14-17)27-3/h4-15H,1-3H3/b25-20+
• InChIKey: GKQHZEDBTIADHL-LKUDQCMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-4H-chromen-4-imine
• IUPAC Traditional name: (4E)-2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)chromen-4-imine

Database IDs

• PubChem SID: 164249877
• PubChem CID: 1427433

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.32718
• LogD (pH = 7.4): 5.327222
• Log P: 5.3272223
• Molar Refractivity: 113.6844 cm^3
• Polarizability: 42.322025 Å^3
• Polar Surface Area: 40.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds