5-[(2-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(2-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
5-[(2-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6026-0064 |
| Compound Name: | 5-[(2-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 297.38 |
| Molecular Formula: | C16 H15 N3 O S |
| Smiles: | Cc1ccccc1OCc1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 3.0878 |
| logD: | 1.8285 |
| logSw: | -3.1246 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.02 |
| InChI Key: | SQFPWKNPZIGKGW-UHFFFAOYSA-N |