Carbamic acid, N-[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-, ethyl ester

C₁₆H₁₆N₄O₄SCAS 1869118-24-0360.39 g/mol

Properties

Molecular formula: C₁₆H₁₆N₄O₄S
Molar mass: 360.39 g/mol
Exact mass: 360.0892 Da
logP: 2.56Crippen estimate
Polar surface area: 106.7 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 4

Hazards

Not classified as hazardous under GHS by 5 ECHA notifiers. Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

1869118-24-0

SMILES

CCOC(O)=Nc1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)n1

InChIKey

NROPCWMCOWTXAZ-UHFFFAOYSA-N

InChI

InChI=1S/C16H16N4O4S/c1-3-24-16(21)19-14-10-17-15-13(18-14)8-9-20(15)25(22,23)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,19,21)

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Names and synonyms

1 names

Carbamic acid, N-(5-((4-methylphenyl)sulfonyl)-5H-pyrrolo(2,3-b)pyrazin-2-yl)-, ethyl ester

Work with Carbamic acid, N-[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-, ethyl ester

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 tert-Butyl 5-tosyl-5H-pyrrolo[2,3-B]pyrazin-2-ylcarbamate1201187-44-151 % similar Ethyl ((4-methylphenyl)sulphonyl)carbamate5577-13-947 % similar 4-Bromo-1-tosyl-1H-pyrrolo[2,3-b]pyridine348640-07-339 % similar 4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine479633-63-139 % similar 2,4-Dichloro-7-tosyl-7H-pyrrolo[2,3-D]pyrimidine934524-10-439 % similar N-[(1,1-Dimethylethoxy)carbonyl]-1-[(4-methylphenyl)sulfonyl]-D-histidine69541-68-035 % similar 1-(p-Toluenesulfonyl)imidazole2232-08-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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