2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-[2-(pyridin-2-yl)ethyl]acetamide

• ChemBase ID: 226775
• Molecular Formular: C24H20N2O4
• Molecular Mass: 400.4266
• Monoisotopic Mass: 400.14230713
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCCc1ncccc1)cc2)c1ccccc1
• Canonical SMILES: O=C(COc1ccc2c(c1)oc(=O)cc2c1ccccc1)NCCc1ccccn1
• InChI: InChI=1S/C24H20N2O4/c27-23(26-13-11-18-8-4-5-12-25-18)16-29-19-9-10-20-21(17-6-2-1-3-7-17)15-24(28)30-22(20)14-19/h1-10,12,14-15H,11,13,16H2,(H,26,27)
• InChIKey: WAICAHMIMFRGGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-[2-(pyridin-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-[(2-oxo-4-phenylchromen-7-yl)oxy]-N-[2-(pyridin-2-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164282685
• PubChem CID: 71753927

CALCULATED PROPERTIES

• Acid pKa: 14.410526
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.734892
• LogD (pH = 7.4): 2.778304
• Log P: 2.778889
• Molar Refractivity: 121.0009 cm^3
• Polarizability: 43.22626 Å^3
• Polar Surface Area: 77.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds