4-phenyl-5-[2-(4-propoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-phenyl-5-[2-(4-propoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
4-phenyl-5-[2-(4-propoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 4850-0747 |
| Compound Name: | 4-phenyl-5-[2-(4-propoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 339.46 |
| Molecular Formula: | C19 H21 N3 O S |
| Smiles: | CCCOc1ccc(CCc2nnc(n2c2ccccc2)S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.301 |
| logD: | 2.5434 |
| logSw: | -4.2872 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.852 |
| InChI Key: | SMFXJLYFZLRLBK-UHFFFAOYSA-N |