zafirlukast

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 93
Total Number of Articles : 91
PubChem 5717
Molecular Formula

C31H33N3O6S

SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC

InChI

InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)

synonyms
  • zafirlukast
  • 107753-78-6
  • Accolate
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Properties
Property Value
MW 575.7 g/mol
HBD 2
HBA 6
Rotatable Bond Count 9
Exact Mass 575.20900695 g/mol
Monoisotopic Mass 575.20900695 g/mol
Heavy Atom Count 41
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1010
xlogp 5.5
Topological Polar Surface Area 124