2-{[4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-2H-chromen-6-yl]oxy}acetamide

• ChemBase ID: 223293
• Molecular Formular: C20H15NO6
• Molecular Mass: 365.3362
• Monoisotopic Mass: 365.08993721
• SMILES: c1(c2c3c(oc(=O)c2)ccc(c3)OCC(=O)N)oc2c(c1)cccc2OC
• Canonical SMILES: COc1cccc2c1oc(c2)c1cc(=O)oc2c1cc(OCC(=O)N)cc2
• InChI: InChI=1S/C20H15NO6/c1-24-16-4-2-3-11-7-17(27-20(11)16)14-9-19(23)26-15-6-5-12(8-13(14)15)25-10-18(21)22/h2-9H,10H2,1H3,(H2,21,22)
• InChIKey: HBQAAOQBWDMOHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-2H-chromen-6-yl]oxy}acetamide
• IUPAC Traditional name: 2-{[4-(7-methoxy-1-benzofuran-2-yl)-2-oxochromen-6-yl]oxy}acetamide

Database IDs

• PubChem SID: 164279203
• PubChem CID: 7295580

CALCULATED PROPERTIES

• Acid pKa: 14.841139
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6513809
• LogD (pH = 7.4): 1.6513809
• Log P: 1.6513809
• Molar Refractivity: 104.6531 cm^3
• Polarizability: 37.76281 Å^3
• Polar Surface Area: 100.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds