4-(4-bromophenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(4-bromophenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(4-bromophenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5731-0257 |
| Compound Name: | 4-(4-bromophenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 333.21 |
| Molecular Formula: | C13 H9 Br N4 S |
| Smiles: | c1cc(cnc1)C1=NNC(N1c1ccc(cc1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 3.0419 |
| logD: | 1.3168 |
| logSw: | -3.0084 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.491 |
| InChI Key: | AZAMYMPZLIXBAJ-UHFFFAOYSA-N |