5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8012-4392 |
| Compound Name: | 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C17 H17 N3 O S |
| Smiles: | Cc1ccc(cc1C)OCc1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 3.6494 |
| logD: | 2.3902 |
| logSw: | -3.7406 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.933 |
| InChI Key: | XKOMOXOMLWWMDO-UHFFFAOYSA-N |