6-[4-bromo-3-(propan-2-yl)-1H-pyrazol-5-yl]-3-(pyrazin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[4-bromo-3-(propan-2-yl)-1H-pyrazol-5-yl]-3-(pyrazin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[4-bromo-3-(propan-2-yl)-1H-pyrazol-5-yl]-3-(pyrazin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-6866 |
| Compound Name: | 6-[4-bromo-3-(propan-2-yl)-1H-pyrazol-5-yl]-3-(pyrazin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 391.25 |
| Molecular Formula: | C13 H11 Br N8 S |
| Smiles: | CC(C)c1c(c(c2nn3c(c4cnccn4)nnc3s2)[nH]n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.3862 |
| logD: | 2.3862 |
| logSw: | -2.1636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.59 |
| InChI Key: | WXDCKQGTTMLYIF-UHFFFAOYSA-N |