5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0239 |
| Compound Name: | 5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 323.78 |
| Molecular Formula: | C13 H11 Cl F N5 S |
| Smiles: | Cc1c(c(c2nnc(n2c2ccc(cc2)F)S)n(C)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.112 |
| logD: | 1.2211 |
| logSw: | -2.907 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.326 |
| InChI Key: | JVCVGLKIVVUGDD-UHFFFAOYSA-N |