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

• ChemBase ID: 194200
• Molecular Formular: C25H23NO5
• Molecular Mass: 417.45382
• Monoisotopic Mass: 417.15762284
• SMILES: c\1(=N/c2c(cc(cc2)OC)OC)/cc(oc2c1cccc2)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)OC)/N=c/1\cc(oc2c1cccc2)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C25H23NO5/c1-27-17-10-11-19(24(14-17)29-3)26-20-15-23(31-21-8-6-5-7-18(20)21)16-9-12-22(28-2)25(13-16)30-4/h5-15H,1-4H3/b26-20+
• InChIKey: KUUOQSCDYXMSJW-LHLOQNFPSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250110
• PubChem CID: 1427279

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.498454
• LogD (pH = 7.4): 4.4984584
• Log P: 4.4984584
• Molar Refractivity: 121.5696 cm^3
• Polarizability: 45.574364 Å^3
• Polar Surface Area: 58.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds