chempirical

(R)-Bicalutamide

C18H14F4N2O4SCAS 113299-40-4430.37 g/mol

Open in Covalent MOL file
SOOFOHNNFFFHO
AlcoholAlkyl halideAmideAryl halideNitrileSulfone

Properties

Molecular formula
C18H14F4N2O4S
Molar mass
430.37 g/mol
Exact mass
430.0610 Da
logP
2.88Crippen estimate
Polar surface area
107.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
113299-40-4
SMILES
C[C@](CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
InChIKey
LKJPYSCBVHEWIU-KRWDZBQOSA-N
InChI
InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1

Weigh it out

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Work with (R)-Bicalutamide

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

Ostarine(mk-2866)1202044-20-958 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide90356-78-846 % similar Mk 2866841205-47-837 % similar (2S)-3-(4-Chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide1010396-29-836 % similar 5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-735 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide90357-51-034 % similar 4-[3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile154992-24-233 % similar 4-Iodo-2-(trifluoromethyl)benzonitrile101066-87-932 % similar

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

Same formula

Bicalutamide90357-06-5

Elsewhere

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