N-(2-oxo-2H-chromen-6-yl)-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 217860
• Molecular Formular: C20H13NO6
• Molecular Mass: 363.32032
• Monoisotopic Mass: 363.07428714
• SMILES: o1c2c(ccc1=O)ccc(c2)OCC(=O)Nc1cc2c(oc(=O)cc2)cc1
• Canonical SMILES: O=C(Nc1ccc2c(c1)ccc(=O)o2)COc1ccc2c(c1)oc(=O)cc2
• InChI: InChI=1S/C20H13NO6/c22-18(21-14-4-6-16-13(9-14)3-8-19(23)26-16)11-25-15-5-1-12-2-7-20(24)27-17(12)10-15/h1-10H,11H2,(H,21,22)
• InChIKey: QULHNZRQDSZBEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273770
• PubChem CID: 16407851

CALCULATED PROPERTIES

• Acid pKa: 12.6248
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3480873
• LogD (pH = 7.4): 2.348085
• Log P: 2.3480873
• Molar Refractivity: 97.8643 cm^3
• Polarizability: 36.25959 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