chempirical

Apalutamide

C21H15F4N5O2SCAS 956104-40-8477.44 g/mol

Open in Covalent MOL file
NHONSNNNFFFOF
Alkyl halideAmideAryl halideLactamNitrile

Properties

Molecular formula
C21H15F4N5O2S
Molar mass
477.44 g/mol
Exact mass
477.0883 Da
logP
4.11Crippen estimate
Polar surface area
92.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
956104-40-8
SMILES
CN=C(O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F
InChIKey
HJBWBFZLDZWPHF-UHFFFAOYSA-N
InChI
InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)

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Names and synonyms

7 names
  • Benzamide, 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methyl-
  • 4-[7-[6-Cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methylbenzamide
  • 4-[7-[6-Cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide
  • ARN 509
  • A 52
  • AR 509
  • Erleada

Work with Apalutamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Enzalutamide915087-33-164 % similar Enzalutamide carboxylic acid1242137-15-050 % similar 4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluorobenzamide1242137-16-149 % similar 4-[(1-Cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide915087-26-239 % similar 4-(3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile154992-24-232 % similar 5-Isothiocyanato-3-(trifluoromethyl)picolinonitrile951753-87-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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