5-[(3-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(3-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-[(3-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0034 |
| Compound Name: | 5-[(3-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C17 H17 N3 O S |
| Smiles: | Cc1ccc(cc1)n1c(COc2cccc(C)c2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.6493 |
| logD: | 2.39 |
| logSw: | -3.7553 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.933 |
| InChI Key: | CZXQLCORKIRNNC-UHFFFAOYSA-N |