(4E)-N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-4H-chromen-4-imine

• ChemBase ID: 188207
• Molecular Formular: C24H21NO2
• Molecular Mass: 355.42904
• Monoisotopic Mass: 355.15722892
• SMILES: c\1(=N/c2cc(cc(c2)C)C)/cc(oc2c1cccc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c/c(=N\c2cc(C)cc(c2)C)/c2c(o1)cccc2
• InChI: InChI=1S/C24H21NO2/c1-16-12-17(2)14-19(13-16)25-22-15-24(18-8-10-20(26-3)11-9-18)27-23-7-5-4-6-21(22)23/h4-15H,1-3H3/b25-22+
• InChIKey: QVXIQTYBSJHRMU-YYDJUVGSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-4H-chromen-4-imine
• IUPAC Traditional name: (4E)-N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)chromen-4-imine

Database IDs

• PubChem SID: 164244117
• PubChem CID: 1774308

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.9982634
• LogD (pH = 7.4): 5.9983144
• Log P: 5.9983153
• Molar Refractivity: 112.2624 cm^3
• Polarizability: 41.593857 Å^3
• Polar Surface Area: 30.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds