4-(3-bromo-4-methylphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-bromo-4-methylphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
4-(3-bromo-4-methylphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8015-6583 |
| Compound Name: | 4-(3-bromo-4-methylphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 336.21 |
| Molecular Formula: | C12 H10 Br N5 S |
| Smiles: | Cc1ccc(cc1[Br])n1c(c2ccn[nH]2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.0127 |
| logD: | 2.1219 |
| logSw: | -2.9874 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.059 |
| InChI Key: | SDASAOIOQHMKKM-UHFFFAOYSA-N |