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

• ChemBase ID: 193917
• Molecular Formular: C25H23NO4
• Molecular Mass: 401.45442
• Monoisotopic Mass: 401.16270822
• SMILES: c\1(=N/c2ccc(cc2)OCC)/cc(oc2c1cccc2)c1cc(c(cc1)OC)OC
• Canonical SMILES: CCOc1ccc(cc1)/N=c/1\cc(oc2c1cccc2)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C25H23NO4/c1-4-29-19-12-10-18(11-13-19)26-21-16-24(30-22-8-6-5-7-20(21)22)17-9-14-23(27-2)25(15-17)28-3/h5-16H,4H2,1-3H3/b26-21+
• InChIKey: DJVANDBMHLQZLQ-YYADALCUSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249827
• PubChem CID: 1600376

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.0128374
• LogD (pH = 7.4): 5.0129366
• Log P: 5.012938
• Molar Refractivity: 119.855 cm^3
• Polarizability: 44.902496 Å^3
• Polar Surface Area: 49.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds