5-(4-bromophenyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-bromophenyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
5-(4-bromophenyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-3523 |
| Compound Name: | 5-(4-bromophenyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 350.24 |
| Molecular Formula: | C13 H12 Br N5 S |
| Smiles: | Cc1c(cn(C)n1)n1c(c2ccc(cc2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.4532 |
| logD: | 0.6076 |
| logSw: | -2.0934 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.319 |
| InChI Key: | IRUJEAROLHWXHC-UHFFFAOYSA-N |