(4E)-2-(4-methoxyphenyl)-N-phenyl-4H-chromen-4-imine

• ChemBase ID: 182339
• Molecular Formular: C22H17NO2
• Molecular Mass: 327.37588
• Monoisotopic Mass: 327.12592879
• SMILES: c\1(=N/c2ccccc2)/cc(oc2c1cccc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c/c(=N\c2ccccc2)/c2c(o1)cccc2
• InChI: InChI=1S/C22H17NO2/c1-24-18-13-11-16(12-14-18)22-15-20(23-17-7-3-2-4-8-17)19-9-5-6-10-21(19)25-22/h2-15H,1H3/b23-20+
• InChIKey: CNRRICBNCABZSD-BSYVCWPDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-2-(4-methoxyphenyl)-N-phenyl-4H-chromen-4-imine
• IUPAC Traditional name: (4E)-2-(4-methoxyphenyl)-N-phenylchromen-4-imine

Database IDs

• PubChem SID: 164238249
• PubChem CID: 761210

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.971436
• LogD (pH = 7.4): 4.971472
• Log P: 4.9714723
• Molar Refractivity: 102.18 cm^3
• Polarizability: 38.061172 Å^3
• Polar Surface Area: 30.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds