6-[4-bromo-5-(propan-2-yl)-1H-pyrazol-3-yl]-3-(2-methylpropyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[4-bromo-5-(propan-2-yl)-1H-pyrazol-3-yl]-3-(2-methylpropyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[4-bromo-5-(propan-2-yl)-1H-pyrazol-3-yl]-3-(2-methylpropyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-6689 |
| Compound Name: | 6-[4-bromo-5-(propan-2-yl)-1H-pyrazol-3-yl]-3-(2-methylpropyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 369.28 |
| Molecular Formula: | C13 H17 Br N6 S |
| Smiles: | CC(C)Cc1nnc2n1nc(c1c(c(C(C)C)[nH]n1)[Br])s2 |
| Stereo: | ACHIRAL |
| logP: | 3.6002 |
| logD: | 3.6002 |
| logSw: | -3.8538 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.271 |
| InChI Key: | VUJVWVWCWAKEJR-UHFFFAOYSA-N |