2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2-oxo-2H-chromen-6-yl)acetamide

• ChemBase ID: 219056
• Molecular Formular: C21H15NO6
• Molecular Mass: 377.3469
• Monoisotopic Mass: 377.08993721
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)O)CC(=O)Nc1cc2c(oc(=O)cc2)cc1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)Nc1ccc2c(c1)ccc(=O)o2
• InChI: InChI=1S/C21H15NO6/c1-11-15-5-4-14(23)9-18(15)28-21(26)16(11)10-19(24)22-13-3-6-17-12(8-13)2-7-20(25)27-17/h2-9,23H,10H2,1H3,(H,22,24)
• InChIKey: IPGGQCAVNHHTGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2-oxo-2H-chromen-6-yl)acetamide
• IUPAC Traditional name: 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-oxochromen-6-yl)acetamide

Database IDs

• PubChem SID: 164274966
• PubChem CID: 16408980

CALCULATED PROPERTIES

• Acid pKa: 7.766515
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.541152
• LogD (pH = 7.4): 2.3892841
• Log P: 2.543482
• Molar Refractivity: 102.2029 cm^3
• Polarizability: 38.02341 Å^3
• Polar Surface Area: 101.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds