2-{[2-oxo-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-7-yl]oxy}acetamide

• ChemBase ID: 223480
• Molecular Formular: C20H13NO6
• Molecular Mass: 363.32032
• Monoisotopic Mass: 363.07428714
• SMILES: c1(c2c(=O)oc3c(c2)cccc3)c2c(oc(=O)c1)cc(OCC(=O)N)cc2
• Canonical SMILES: NC(=O)COc1ccc2c(c1)oc(=O)cc2c1cc2ccccc2oc1=O
• InChI: InChI=1S/C20H13NO6/c21-18(22)10-25-12-5-6-13-14(9-19(23)26-17(13)8-12)15-7-11-3-1-2-4-16(11)27-20(15)24/h1-9H,10H2,(H2,21,22)
• InChIKey: RMXIAYXKCIHPOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-oxo-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-7-yl]oxy}acetamide
• IUPAC Traditional name: 2-{[2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl]oxy}acetamide

Database IDs

• PubChem SID: 164279390
• PubChem CID: 7198241

CALCULATED PROPERTIES

• Acid pKa: 14.900059
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4221705
• LogD (pH = 7.4): 1.4221705
• Log P: 1.4221705
• Molar Refractivity: 95.1021 cm^3
• Polarizability: 36.26869 Å^3
• Polar Surface Area: 104.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds