5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0111 |
| Compound Name: | 5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 289.33 |
| Molecular Formula: | C13 H12 F N5 S |
| Smiles: | Cc1cc(c2nnc(n2c2ccc(cc2)F)S)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5332 |
| logD: | 0.6423 |
| logSw: | -1.0097 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.78 |
| InChI Key: | VUUARHLAEGVLKI-UHFFFAOYSA-N |