Bosentan

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 250
Total Number of Articles : 573
PubChem 104865
Molecular Formula

C27H29N5O6S

SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC

InChI

InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)

synonyms
  • Bosentan
  • 147536-97-8
  • Tracleer
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Properties
Property Value
MW 551.6 g/mol
HBD 2
HBA 11
Rotatable Bond Count 11
Exact Mass 551.18385484 g/mol
Monoisotopic Mass 551.18385484 g/mol
Heavy Atom Count 39
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 839
xlogp 3.8
Topological Polar Surface Area 154