N-(furan-2-ylmethyl)-2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetamide

• ChemBase ID: 213429
• Molecular Formular: C23H19NO6
• Molecular Mass: 405.40006
• Monoisotopic Mass: 405.12123733
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCc1occc1)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OCC(=O)NCc1ccco1
• InChI: InChI=1S/C23H19NO6/c1-27-16-6-4-15(5-7-16)20-12-23(26)30-21-11-17(8-9-19(20)21)29-14-22(25)24-13-18-3-2-10-28-18/h2-12H,13-14H2,1H3,(H,24,25)
• InChIKey: CJQUHYBFBMKPTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-{[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy}acetamide

Database IDs

• PubChem SID: 164269339
• PubChem CID: 4967284

CALCULATED PROPERTIES

• Acid pKa: 12.161603
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.580652
• LogD (pH = 7.4): 2.5806456
• Log P: 2.5806522
• Molar Refractivity: 117.8347 cm^3
• Polarizability: 41.68831 Å^3
• Polar Surface Area: 87.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds