5-(5-chloro-2-methoxyphenyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(5-chloro-2-methoxyphenyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(5-chloro-2-methoxyphenyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 4670-0178 |
| Compound Name: | 5-(5-chloro-2-methoxyphenyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 269.75 |
| Molecular Formula: | C11 H12 Cl N3 O S |
| Smiles: | CCN1C(c2cc(ccc2OC)[Cl])=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.1554 |
| logD: | 2.7368 |
| logSw: | -3.632 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.211 |
| InChI Key: | JQCJLZNTDPXCNE-UHFFFAOYSA-N |