selexipag

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 20
Total Number of Articles : 46
PubChem 9913767
Molecular Formula

C26H32N4O4S

SMILES

CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)

synonyms
  • Selexipag
  • Uptravi
  • ACT-293987
Click to show/hide the synonyms
Properties
Property Value
MW 496.6 g/mol
HBD 1
HBA 7
Rotatable Bond Count 12
Exact Mass 496.21442669 g/mol
Monoisotopic Mass 496.21442669 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 730
xlogp 3.8
Topological Polar Surface Area 110