tert-Butyl 5-tosyl-5H-pyrrolo[2,3-B]pyrazin-2-ylcarbamate

C₁₈H₂₀N₄O₄SCAS 1201187-44-1388.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₂₀N₄O₄S
Molar mass: 388.44 g/mol
Exact mass: 388.1205 Da
logP: 3.32Crippen estimate
Polar surface area: 103.2 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 3

Identifiers

CAS number

1201187-44-1

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=NC(=CN=C32)NC(=O)OC(C)(C)C

InChIKey

NTMJGYRFMXFNIC-UHFFFAOYSA-N

InChI

InChI=1S/C18H20N4O4S/c1-12-5-7-13(8-6-12)27(24,25)22-10-9-14-16(22)19-11-15(20-14)21-17(23)26-18(2,3)4/h5-11H,1-4H3,(H,20,21,23)

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Names and synonyms

1 names

1,1-Dimethylethyl N-(5-((4-methylphenyl)sulfonyl)-5H-pyrrolo(2,3-b)pyrazin-2-yl)carbamate

Work with tert-Butyl 5-tosyl-5H-pyrrolo[2,3-B]pyrazin-2-ylcarbamate

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

N-Tosyl-5-bromo-4,7-diazaindole1201186-54-055 % similar Carbamic acid, N-[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-B]pyrazin-2-yl]-, ethyl ester1869118-24-051 % similar tert-Butyl tosyloxycarbamate105838-14-044 % similar 4-Bromo-1-tosyl-1H-pyrrolo[2,3-B]pyridine348640-07-339 % similar (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-739 % similar N-[(1,1-Dimethylethoxy)carbonyl]-1-[(4-methylphenyl)sulfonyl]-D-histidine69541-68-035 % similar tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate1094070-77-533 % similar Imidodicarbonic acid, 2-[5-bromo-3-[[(4-methylphenyl)sulfonyl]oxy]-2-pyridinyl]-, 1,3-bis(1,1-dimethylethyl) ester1803573-21-833 % similar

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

Elsewhere

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