3-(thiophen-3-yl)-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(thiophen-3-yl)-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(thiophen-3-yl)-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | 8020-6181 |
Compound Name: | 3-(thiophen-3-yl)-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 316.4 |
Molecular Formula: | C13 H12 N6 S2 |
Smiles: | Cc1c(c(C)n(C)n1)c1nn2c(c3ccsc3)nnc2s1 |
Stereo: | ACHIRAL |
logP: | 1.4938 |
logD: | 1.4938 |
logSw: | -1.5514 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 49.579 |
InChI Key: | NOJFUDMZDFUCEO-UHFFFAOYSA-N |