2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide

• ChemBase ID: 218761
• Molecular Formular: C20H14N2O4S
• Molecular Mass: 378.40116
• Monoisotopic Mass: 378.06742794
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Nc1nccs1)cc2)c1ccccc1
• Canonical SMILES: O=C(Nc1nccs1)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C20H14N2O4S/c23-18(22-20-21-8-9-27-20)12-25-14-6-7-15-16(13-4-2-1-3-5-13)11-19(24)26-17(15)10-14/h1-11H,12H2,(H,21,22,23)
• InChIKey: FRRDPHHZQAPGCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-[(2-oxo-4-phenylchromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide

Database IDs

• PubChem SID: 164274671
• PubChem CID: 16408709

CALCULATED PROPERTIES

• Acid pKa: 10.474808
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3142095
• LogD (pH = 7.4): 3.3138676
• Log P: 3.314215
• Molar Refractivity: 110.6081 cm^3
• Polarizability: 38.24777 Å^3
• Polar Surface Area: 77.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds