4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8015-7376 |
| Compound Name: | 4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 303.34 |
| Molecular Formula: | C13 H13 N5 O2 S |
| Smiles: | COc1ccc(c(c1)n1c(c2ccn[nH]2)nnc1S)OC |
| Stereo: | ACHIRAL |
| logP: | 1.754 |
| logD: | 0.8632 |
| logSw: | -2.0317 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.932 |
| InChI Key: | QDKYXTWQMVNYSQ-UHFFFAOYSA-N |