Deutenzalutamide
4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
Molecular Identity
Deutenzalutamide
4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
PubChem CID: 71580408
2D Structure
Properties
C21H16F4N4O2S
Molecular Formula
467.50
Molecular Weight
g/mol
467.1118
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
839
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)CIsomeric SMILES
SMILES: [2H]C([2H])([2H])NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)FSynonyms(20)
Enzalutamide D3Deutenzalutamide1443331-82-5HC-11193OKI556HC2HC1119HC 11194-(3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl)-2-fluoro-N-(methyl-d3)benzamide4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-N-(methyl-d3)benzamideBenzamide, 4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl)-2-fluoro-N-(methyl-d3)-Deuterated EnzalutamideEnzalutamide DeuteratedRefChem:132347D3-ENTN-trideuteromethyl Enzalutamide
Data from PubChem (NCBI)
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