5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 7832-0060 |
| Compound Name: | 5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 317.39 |
| Molecular Formula: | C15 H16 F N5 S |
| Smiles: | CC(C)(C)c1cc(c2nnc(n2c2ccccc2F)S)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3714 |
| logD: | 2.0196 |
| logSw: | -3.6342 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.918 |
| InChI Key: | YTLNIDBFYDTLOV-UHFFFAOYSA-N |