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

• ChemBase ID: 193837
• Molecular Formular: C25H23NO3
• Molecular Mass: 385.45502
• Monoisotopic Mass: 385.1677936
• SMILES: c\1(=N/c2c(cc(cc2)C)C)/cc(oc2c1cccc2)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1c/c(=N\c2ccc(cc2C)C)/c2c(o1)cccc2
• InChI: InChI=1S/C25H23NO3/c1-16-9-11-20(17(2)13-16)26-21-15-24(29-22-8-6-5-7-19(21)22)18-10-12-23(27-3)25(14-18)28-4/h5-15H,1-4H3/b26-21+
• InChIKey: ARVDXJYLOASWAP-YYADALCUSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249747
• PubChem CID: 1636103

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.8405
• LogD (pH = 7.4): 5.840642
• Log P: 5.840644
• Molar Refractivity: 118.7256 cm^3
• Polarizability: 44.088566 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