(2E)-3-(furan-2-yl)-N-[4-(2-oxo-2H-chromen-3-yl)phenyl]prop-2-enamide

• ChemBase ID: 222876
• Molecular Formular: C22H15NO4
• Molecular Mass: 357.3588
• Monoisotopic Mass: 357.10010797
• SMILES: c1(c(=O)oc2c(c1)cccc2)c1ccc(NC(=O)/C=C/c2occc2)cc1
• Canonical SMILES: O=C(Nc1ccc(cc1)c1cc2ccccc2oc1=O)/C=C/c1ccco1
• InChI: InChI=1S/C22H15NO4/c24-21(12-11-18-5-3-13-26-18)23-17-9-7-15(8-10-17)19-14-16-4-1-2-6-20(16)27-22(19)25/h1-14H,(H,23,24)/b12-11+
• InChIKey: UECOXFXEZQONQE-VAWYXSNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-3-(furan-2-yl)-N-[4-(2-oxo-2H-chromen-3-yl)phenyl]prop-2-enamide
• IUPAC Traditional name: (2E)-3-(furan-2-yl)-N-[4-(2-oxochromen-3-yl)phenyl]prop-2-enamide

Database IDs

• PubChem SID: 164278786
• PubChem CID: 1109848

CALCULATED PROPERTIES

• Acid pKa: 14.152197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.108836
• LogD (pH = 7.4): 4.108836
• Log P: 4.108836
• Molar Refractivity: 103.6708 cm^3
• Polarizability: 38.367226 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds