5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0105 |
| Compound Name: | 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 319.81 |
| Molecular Formula: | C14 H14 Cl N5 S |
| Smiles: | Cc1ccc(cc1)n1c(c2c(c(C)n(C)n2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.6075 |
| logD: | 1.7166 |
| logSw: | -3.3215 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.491 |
| InChI Key: | NSTONUHPDDLKGD-UHFFFAOYSA-N |