chempirical

Pyrazosulfuron-ethyl

C14H18N6O7SCAS 93697-74-6414.39 g/mol

Open in Covalent MOL file
OONNSOONHOHNNOON
EsterEtherSulfonamide

Properties

Molecular formula
C14H18N6O7S
Molar mass
414.39 g/mol
Exact mass
414.0958 Da
Melting point
181.5 °C
logP
-0.07Crippen estimate
Polar surface area
167.1 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
7

Identifiers

CAS number
93697-74-6
SMILES
CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(O)=Nc1nc(OC)cc(OC)n1
InChIKey
BGNQYGRXEXDAIQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N6O7S/c1-5-27-12(21)8-7-15-20(2)11(8)28(23,24)19-14(22)18-13-16-9(25-3)6-10(17-13)26-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1H-Pyrazole-4-carboxylic acid, 5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, ethyl ester
  • Agreen
  • Sirius
  • Ethyl 5-(4,6-dimethoxy pyrimidine-2-ylcarbamoylsulfamoyl)-1-methylpyrazole-4-carboxylate
  • Ethyl-5-(4,6-dimethoxypyrimidin-2-ylcarbamoyl sulfamoyl)-1-methylpyrazole-4-carboxylate
  • Saathi

Work with Pyrazosulfuron-ethyl

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

Azimsulfuron120162-55-260 % similar Chlorimuron-ethyl90982-32-459 % similar Halosulfuron-methyl100784-20-158 % similar Sulfosulfuron141776-32-151 % similar Mesosulfuron-methyl208465-21-847 % similar Rimsulfuron122931-48-046 % similar Bensulfuron-methyl83055-99-646 % similar Ethoxysulfuron126801-58-946 % similar

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

Elsewhere

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