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

C₁₃H₁₀BrN₃O₂SCAS 1201186-54-0352.21 g/mol

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Properties

Molecular formula: C₁₃H₁₀BrN₃O₂S
Molar mass: 352.21 g/mol
Exact mass: 350.9677 Da
logP: 2.74Crippen estimate
Polar surface area: 64.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

Similar compounds

tert-Butyl 5-tosyl-5H-pyrrolo[2,3-B]pyrazin-2-ylcarbamate1201187-44-155 % similar Carbamic acid, N-[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-B]pyrazin-2-yl]-, ethyl ester1869118-24-055 % similar 4-Bromo-1-tosyl-1H-pyrrolo[2,3-B]pyridine348640-07-355 % similar 1-Tosylpyrrole17639-64-441 % similar 1-(P-Toluenesulfonyl)imidazole2232-08-840 % similar 1-(4-Methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid106058-86-033 % similar 2-Bromo-5-methylpyridine3510-66-533 % similar P-Toluenesulfonamide70-55-333 % similar

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

Elsewhere

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