5-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
5-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-9058 |
| Compound Name: | 5-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 325.43 |
| Molecular Formula: | C18 H19 N3 O S |
| Smiles: | CCc1cc(C)cc(c1)OCc1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 4.1443 |
| logD: | 2.885 |
| logSw: | -4.233 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.933 |
| InChI Key: | BKKWJVRBKCXDMO-UHFFFAOYSA-N |