3-(4-bromophenyl)-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(4-bromophenyl)-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(4-bromophenyl)-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0851 |
| Compound Name: | 3-(4-bromophenyl)-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 403.3 |
| Molecular Formula: | C16 H15 Br N6 S |
| Smiles: | CC(C)Cc1cc(c2nn3c(c4ccc(cc4)[Br])nnc3s2)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8185 |
| logD: | 4.8185 |
| logSw: | -4.5384 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.978 |
| InChI Key: | BOODYBQDGWEQHI-UHFFFAOYSA-N |