Rezvilutamide
4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Molecular Identity
Rezvilutamide
4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
PubChem CID: 89995232
2D Structure
Properties
C22H20F3N3O4S
Molecular Formula
479.50
Molecular Weight
g/mol
479.1127
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
129
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
791
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OCC(CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)CIsomeric SMILES
SMILES: CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OC[C@H](CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)CSynonyms(20)
Rezvilutamide1572045-62-5ArianeRezvilutamide [INN]UNII-70FJN2AW2270FJN2AW22SHR36804-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrileREZVILUTAMIDE [WHO-DD]Benzonitrile, 4-(3-(4-((2S)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)-SHR-36804-(3-(4-((S)-2,3-Dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrileexample 44 [WO2014036897A1]example 44 (WO2014036897A1)4-(3-(4-((2S)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Data from PubChem (NCBI)
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