(4E)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-chromen-4-imine

• ChemBase ID: 198574
• Molecular Formular: C24H21NO4
• Molecular Mass: 387.42784
• Monoisotopic Mass: 387.14705816
• SMILES: c\1(=N/c2cc(ccc2OC)OC)/cc(oc2c1cccc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c/c(=N\c2cc(OC)ccc2OC)/c2c(o1)cccc2
• InChI: InChI=1S/C24H21NO4/c1-26-17-10-8-16(9-11-17)24-15-20(19-6-4-5-7-22(19)29-24)25-21-14-18(27-2)12-13-23(21)28-3/h4-15H,1-3H3/b25-20+
• InChIKey: PJGLLSWBTLOMDJ-LKUDQCMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-chromen-4-imine
• IUPAC Traditional name: (4E)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)chromen-4-imine

Database IDs

• PubChem SID: 164254484
• PubChem CID: 1285741

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.6561294
• LogD (pH = 7.4): 4.65613
• Log P: 4.65613
• Molar Refractivity: 115.1064 cm^3
• Polarizability: 43.05967 Å^3
• Polar Surface Area: 49.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds