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

• ChemBase ID: 212960
• Molecular Formular: C23H18N2O4
• Molecular Mass: 386.40002
• Monoisotopic Mass: 386.12665707
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCc1ncccc1)cc2)c1ccccc1
• Canonical SMILES: O=C(COc1ccc2c(c1)oc(=O)cc2c1ccccc1)NCc1ccccn1
• InChI: InChI=1S/C23H18N2O4/c26-22(25-14-17-8-4-5-11-24-17)15-28-18-9-10-19-20(16-6-2-1-3-7-16)13-23(27)29-21(19)12-18/h1-13H,14-15H2,(H,25,26)
• InChIKey: UDVBEJLZYOEXNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164268870
• PubChem CID: 4966287

CALCULATED PROPERTIES

• Acid pKa: 12.5573845
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5238953
• LogD (pH = 7.4): 2.5416422
• Log P: 2.5418763
• Molar Refractivity: 116.3015 cm^3
• Polarizability: 41.38365 Å^3
• Polar Surface Area: 77.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds