5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0398 |
| Compound Name: | 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 321.79 |
| Molecular Formula: | C13 H12 Cl N5 O S |
| Smiles: | Cn1cc(c(c2nnc(n2c2ccccc2OC)S)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.7402 |
| logD: | 0.8494 |
| logSw: | -2.3337 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.143 |
| InChI Key: | UKWKMNSRDOBEBB-UHFFFAOYSA-N |