4-(3-bromo-4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-bromo-4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
4-(3-bromo-4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8015-6584 |
| Compound Name: | 4-(3-bromo-4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 348.22 |
| Molecular Formula: | C13 H10 Br N5 S |
| Smiles: | Cc1ccc(cc1[Br])n1c(c2cnccn2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.6565 |
| logD: | 1.5223 |
| logSw: | -2.3036 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.023 |
| InChI Key: | RBTHSXNHWLTOSJ-UHFFFAOYSA-N |