4-(3-bromo-4-methylphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-bromo-4-methylphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
4-(3-bromo-4-methylphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8015-8279 |
| Compound Name: | 4-(3-bromo-4-methylphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 430.3 |
| Molecular Formula: | C18 H13 Br F N5 S |
| Smiles: | Cc1ccc(cc1[Br])n1c(c2cc(c3ccc(cc3)F)n[nH]2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.1997 |
| logD: | 4.3088 |
| logSw: | -5.1955 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.947 |
| InChI Key: | WCGDMDHURCTXLB-UHFFFAOYSA-N |