5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0142 |
| Compound Name: | 5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 301.37 |
| Molecular Formula: | C14 H15 N5 O S |
| Smiles: | Cc1cc(c2nnc(n2c2ccccc2OC)S)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.2809 |
| logD: | 0.3901 |
| logSw: | -1.7001 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.11 |
| InChI Key: | DBVIMIMAFWRJIL-UHFFFAOYSA-N |