2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 118217818
Molecular Formula

C34H30F8N4O5S

SMILES

CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(C3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)OCC4=C(C=CC=C4F)C#N)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C34H30F8N4O5S/c1-22(47)44-15-17-45(18-16-44)30(48)46-14-13-31(21-46,52(49,50)27-11-9-26(35)10-12-27)24-5-7-25(8-6-24)32(33(37,38)39,34(40,41)42)51-20-28-23(19-43)3-2-4-29(28)36/h2-12H,13-18,20-21H2,1H3/t31-/m0/s1

synonyms
  • 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile
  • CHEMBL3902725
  • SCHEMBL16886703
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Properties
Property Value
MW 758.7 g/mol
HBD 0
HBA 14
Rotatable Bond Count 7
Exact Mass 758.18091654 g/mol
Monoisotopic Mass 758.18091654 g/mol
Heavy Atom Count 52
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 1430
xlogp 4.6
Topological Polar Surface Area 119