2-{[4-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxo-2H-chromen-7-yl]oxy}acetamide

• ChemBase ID: 222833
• Molecular Formular: C21H15NO7
• Molecular Mass: 393.3463
• Monoisotopic Mass: 393.08485183
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)cc(OCC(=O)N)cc2
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2)OCC(=O)N
• InChI: InChI=1S/C21H15NO7/c1-26-16-4-2-3-11-7-15(21(25)29-20(11)16)14-9-19(24)28-17-8-12(5-6-13(14)17)27-10-18(22)23/h2-9H,10H2,1H3,(H2,22,23)
• InChIKey: LWXTZUWQMPIWHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[4-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxo-2H-chromen-7-yl]oxy}acetamide
• IUPAC Traditional name: 2-{[4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl]oxy}acetamide

Database IDs

• PubChem SID: 164278743
• PubChem CID: 7198243

CALCULATED PROPERTIES

• Acid pKa: 14.900056
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2644993
• LogD (pH = 7.4): 1.2644993
• Log P: 1.2644993
• Molar Refractivity: 101.5653 cm^3
• Polarizability: 38.813004 Å^3
• Polar Surface Area: 114.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds