Enzalutamide carboxylic acid

C₂₀H₁₃F₄N₃O₃SCAS 1242137-15-0451.40 g/mol

Open in Covalent MOL file

Alkyl halide Amide Aryl halide Carboxylic acid Lactam Nitrile

Properties

Molecular formula: C₂₀H₁₃F₄N₃O₃S
Molar mass: 451.40 g/mol
Exact mass: 451.0614 Da
logP: 4.33Crippen estimate
Polar surface area: 84.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

1242137-15-0

SMILES

CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)O)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

InChIKey

MECDPCCFIDQBBP-UHFFFAOYSA-N

InChI

InChI=1S/C20H13F4N3O3S/c1-19(2)17(30)26(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)27(19)12-5-6-13(16(28)29)15(21)8-12/h3-8H,1-2H3,(H,28,29)

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Work with Enzalutamide carboxylic acid

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

4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluorobenzamide1242137-16-185 % similar Enzalutamide915087-33-180 % similar Apalutamide956104-40-850 % similar 4-[3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile154992-24-249 % similar 4-Cyano-2-fluorobenzoic acid164149-28-440 % similar 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-838 % similar 4-Cyano-3-fluorobenzoic acid176508-81-936 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide90357-51-035 % similar

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

Elsewhere

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