3-(5-bromothiophen-2-yl)-6-(1-ethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(5-bromothiophen-2-yl)-6-(1-ethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(5-bromothiophen-2-yl)-6-(1-ethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-5205 |
| Compound Name: | 3-(5-bromothiophen-2-yl)-6-(1-ethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 381.27 |
| Molecular Formula: | C12 H9 Br N6 S2 |
| Smiles: | CCn1cc(cn1)c1nn2c(c3ccc(s3)[Br])nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8861 |
| logD: | 2.8861 |
| logSw: | -2.8836 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.242 |
| InChI Key: | DEOROYJDAPGMRD-UHFFFAOYSA-N |