Darunavir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 69
Total Number of Articles : 134
PubChem 213039
Molecular Formula

C27H37N3O7S

SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1

synonyms
  • Darunavir
  • 206361-99-1
  • TMC114
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Properties
Property Value
MW 547.7 g/mol
HBD 3
HBA 9
Rotatable Bond Count 12
Exact Mass 547.23522170 g/mol
Monoisotopic Mass 547.23522170 g/mol
Heavy Atom Count 38
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 853
xlogp 2.9
Topological Polar Surface Area 149