Febuxostat

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 114
Total Number of Articles : 134
PubChem 134018
Molecular Formula

C16H16N2O3S

SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O

InChI

InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)

synonyms
  • Febuxostat
  • 144060-53-7
  • Adenuric
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Properties
Property Value
MW 316.4 g/mol
HBD 1
HBA 6
Rotatable Bond Count 5
Exact Mass 316.08816355 g/mol
Monoisotopic Mass 316.08816355 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 448
xlogp 3.9
Topological Polar Surface Area 111