chempirical

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

C16H16N4O4SCAS 1869118-24-0360.39 g/mol

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OONHNNSOON

Properties

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

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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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 N-[(4-methylphenyl)sulfonyl]carbamate5577-13-947 % similar 4-Bromo-1-tosyl-1H-pyrrolo[2,3-B]pyridine348640-07-339 % similar N-[(1,1-Dimethylethoxy)carbonyl]-1-[(4-methylphenyl)sulfonyl]-D-histidine69541-68-035 % similar 1-(P-Toluenesulfonyl)imidazole2232-08-834 % similar 1-(4-Methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid106058-86-033 % similar Ethyl N-phenylcarbamate101-99-532 % similar

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

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