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

• ChemBase ID: 194136
• Molecular Formular: C24H21NO4
• Molecular Mass: 387.42784
• Monoisotopic Mass: 387.14705816
• SMILES: c\1(=N/c2cc(OC)ccc2)/cc(oc2c1cccc2)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cccc(c1)/N=c/1\cc(oc2c1cccc2)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C24H21NO4/c1-26-18-8-6-7-17(14-18)25-20-15-23(29-21-10-5-4-9-19(20)21)16-11-12-22(27-2)24(13-16)28-3/h4-15H,1-3H3/b25-20+
• InChIKey: JDKZDNUNIRFCSR-LKUDQCMESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250046
• PubChem CID: 1427190

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.656116
• LogD (pH = 7.4): 4.65613
• Log P: 4.65613
• Molar Refractivity: 115.1064 cm^3
• Polarizability: 43.06002 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