Carbamic acid, N-[(1S)-1-[3-bromo-6-[3-methyl-3-(methylsulfonyl)-1-butyn-1-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-, 1,1-dimethylethyl ester

C₂₄H₂₇BrF₂N₂O₄SCAS 2189684-54-4557.45 g/mol

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Alkyne Aryl halide Carbamate Sulfone

Properties

Molecular formula: C₂₄H₂₇BrF₂N₂O₄S
Molar mass: 557.45 g/mol
Exact mass: 556.0843 Da
logP: 5.11Crippen estimate
Polar surface area: 85.4 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

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

2189684-54-4

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)C2=C(C=CC(=N2)C#CC(C)(C)S(=O)(=O)C)Br

InChIKey

OBUPKGOLRNAZIS-FQEVSTJZSA-N

InChI

InChI=1S/C24H27BrF2N2O4S/c1-23(2,3)33-22(30)29-20(13-15-11-16(26)14-17(27)12-15)21-19(25)8-7-18(28-21)9-10-24(4,5)34(6,31)32/h7-8,11-12,14,20H,13H2,1-6H3,(H,29,30)/t20-/m0/s1

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Names and synonyms

1 names

tert-Butyl (S)-(1-(3-bromo-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate

Work with Carbamic acid, N-[(1S)-1-[3-bromo-6-[3-methyl-3-(methylsulfonyl)-1-butyn-1-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-, 1,1-dimethylethyl ester

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Similar compounds

3-[(tert-Butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid284493-72-735 % similar Boc-L-4-fluorophe41153-30-435 % similar Boc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid218608-97-035 % similar Boc-(R)-3-amino-4-(4-fluoro-phenyl)-butyric acid218609-00-835 % similar tert-Butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate72155-45-434 % similar (R)-(+)-2-(tert-Butoxycarbonylamino)-3-phenylpropanal77119-85-834 % similar (2S)-3-(2-Bromophenyl)-2-(((tert-butoxy)carbonyl)amino)propanoic acid261165-02-033 % similar Boc-D-3,4,5-trifluorophenylalanine205445-55-233 % similar

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

Elsewhere

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