4-(2-bromo-4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2-bromo-4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-(2-bromo-4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8015-6587 |
| Compound Name: | 4-(2-bromo-4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 347.23 |
| Molecular Formula: | C14 H11 Br N4 S |
| Smiles: | Cc1ccc(c(c1)[Br])n1c(c2ccncc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.0969 |
| logD: | 1.062 |
| logSw: | -2.9003 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.585 |
| InChI Key: | OGMABELOPYSLCP-UHFFFAOYSA-N |