parecoxib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 128
Total Number of Articles : 206
PubChem 119828
Molecular Formula

C19H18N2O4S

SMILES

CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C

InChI

InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)

synonyms
  • Parecoxib
  • 198470-84-7
  • SC-69124
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Properties
Property Value
MW 370.4 g/mol
HBD 1
HBA 5
Rotatable Bond Count 5
Exact Mass 370.09872823 g/mol
Monoisotopic Mass 370.09872823 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 575
xlogp 3.3
Topological Polar Surface Area 97.6