2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)acetamide

• ChemBase ID: 227521
• Molecular Formular: C20H15NO6
• Molecular Mass: 365.3362
• Monoisotopic Mass: 365.08993721
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)Nc1cc2c(C(=O)OC2)cc1)C
• Canonical SMILES: O=C(Nc1ccc2c(c1)COC2=O)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C20H15NO6/c1-11-6-19(23)27-17-8-14(3-5-15(11)17)25-10-18(22)21-13-2-4-16-12(7-13)9-26-20(16)24/h2-8H,9-10H2,1H3,(H,21,22)
• InChIKey: WZCPSJKEEDGDIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)acetamide
• IUPAC Traditional name: 2-[(4-methyl-2-oxochromen-7-yl)oxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide

Database IDs

• PubChem SID: 164283431
• PubChem CID: 71754651

CALCULATED PROPERTIES

• Acid pKa: 12.181142
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3920724
• LogD (pH = 7.4): 2.3920655
• Log P: 2.3920724
• Molar Refractivity: 97.2356 cm^3
• Polarizability: 36.423557 Å^3
• Polar Surface Area: 90.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds