(4E)-2-(2H-1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)-4H-chromen-4-imine

• ChemBase ID: 188498
• Molecular Formular: C24H19NO4
• Molecular Mass: 385.41196
• Monoisotopic Mass: 385.13140809
• SMILES: c\1(=N/c2ccc(cc2)OCC)/cc(oc2c1cccc2)c1cc2c(OCO2)cc1
• Canonical SMILES: CCOc1ccc(cc1)/N=c/1\cc(oc2c1cccc2)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C24H19NO4/c1-2-26-18-10-8-17(9-11-18)25-20-14-23(29-21-6-4-3-5-19(20)21)16-7-12-22-24(13-16)28-15-27-22/h3-14H,2,15H2,1H3/b25-20+
• InChIKey: VBFVVGRTHKTORH-LKUDQCMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-2-(2H-1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)-4H-chromen-4-imine
• IUPAC Traditional name: (4E)-2-(2H-1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)chromen-4-imine

Database IDs

• PubChem SID: 164244408
• PubChem CID: 1781140

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.951414
• LogD (pH = 7.4): 4.9515123
• Log P: 4.951514
• Molar Refractivity: 112.6955 cm^3
• Polarizability: 42.324352 Å^3
• Polar Surface Area: 49.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds