N-Tosyl-5-bromo-4,7-diazaindole

C13H10BrN3O2SCAS 1201186-54-0352.21 g/mol

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SOONNNBr
Aryl halide

Properties

Molecular formula
C13H10BrN3O2S
Molar mass
352.21 g/mol
Exact mass
350.9677 Da
logP
2.74Crippen estimate
Polar surface area
64.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
1201186-54-0
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=NC(=CN=C32)Br
InChIKey
UMZKBENCNNDLRF-UHFFFAOYSA-N
InChI
InChI=1S/C13H10BrN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-13(17)15-8-12(14)16-11/h2-8H,1H3

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Names and synonyms

1 names
  • 2-Bromo-5-((4-methylphenyl)sulfonyl)-5H-pyrrolo(2,3-b)pyrazine

Work with N-Tosyl-5-bromo-4,7-diazaindole

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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