3-benzyl-6-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-benzyl-6-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-benzyl-6-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-6674 |
| Compound Name: | 3-benzyl-6-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 389.27 |
| Molecular Formula: | C15 H13 Br N6 S |
| Smiles: | Cc1c(c(c2nn3c(Cc4ccccc4)nnc3s2)n(C)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.3209 |
| logD: | 2.3209 |
| logSw: | -2.2648 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.567 |
| InChI Key: | DPDIQOUEKSRTSX-UHFFFAOYSA-N |