2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-N-(2-oxo-2H-chromen-6-yl)acetamide

• ChemBase ID: 218890
• Molecular Formular: C26H17NO7
• Molecular Mass: 455.41568
• Monoisotopic Mass: 455.10050189
• SMILES: c12c(=O)cc(oc1cc(cc2O)OCC(=O)Nc1cc2c(oc(=O)cc2)cc1)c1ccccc1
• Canonical SMILES: O=C(Nc1ccc2c(c1)ccc(=O)o2)COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1
• InChI: InChI=1S/C26H17NO7/c28-19-11-18(12-23-26(19)20(29)13-22(33-23)15-4-2-1-3-5-15)32-14-24(30)27-17-7-8-21-16(10-17)6-9-25(31)34-21/h1-13,28H,14H2,(H,27,30)
• InChIKey: CSXUFHWDNNCPNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-N-(2-oxo-2H-chromen-6-yl)acetamide
• IUPAC Traditional name: 2-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]-N-(2-oxochromen-6-yl)acetamide

Database IDs

• PubChem SID: 164274800
• PubChem CID: 16408830

CALCULATED PROPERTIES

• Acid pKa: 8.54867
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 3.8781626
• LogD (pH = 7.4): 3.8490021
• Log P: 3.8785474
• Molar Refractivity: 125.2678 cm^3
• Polarizability: 46.41948 Å^3
• Polar Surface Area: 111.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds