5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8016-9243 |
| Compound Name: | 5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 365.84 |
| Molecular Formula: | C15 H16 Cl N5 O2 S |
| Smiles: | CCn1cc(c(c2nnc(n2c2cc(ccc2OC)OC)S)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4608 |
| logD: | 1.57 |
| logSw: | -3.1184 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.379 |
| InChI Key: | XLMOLCWAVQQDRP-UHFFFAOYSA-N |