chempirical

Andarine

C19H18F3N3O6CAS 401900-40-1441.36 g/mol

Open in Covalent MOL file
OHNOOHONHN+OO−FFF
AlcoholAlkyl halideEtherNitro

Properties

Molecular formula
C19H18F3N3O6
Molar mass
441.36 g/mol
Exact mass
441.1148 Da
Melting point
70–74 °C
logP
4.64Crippen estimate
Polar surface area
137.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
401900-40-1
SMILES
CC(O)=Nc1ccc(OC[C@](C)(O)C(O)=Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1
InChIKey
YVXVTLGIDOACBJ-SFHVURJKSA-N
InChI
InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1

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Names and synonyms

7 names
  • Propanamide, 3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-, (2S)-
  • (2S)-3-[4-(Acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
  • N-[4-Nitro-3-(trifluoromethyl)phenyl]-(2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methylpropanamide
  • S 4
  • SARM S-4
  • GTx 007
  • (2S)-3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

Work with Andarine

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

Hydroxyflutamide52806-53-859 % similar Mk 2866841205-47-853 % similar Flutamide13311-84-749 % similar (2S)-3-(4-Chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide1010396-29-847 % similar 5-Acetamido-2-nitrobenzoic acid4368-83-643 % similar N-(4-Chloro-3-nitrophenyl)acetamide5540-60-342 % similar Nitroacetanilide104-04-140 % similar N-[4-Amino-3-(trifluoromethyl)phenyl]acetamide1579-89-139 % similar

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

Elsewhere

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