4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0154 |
| Compound Name: | 4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | Cc1cccc(c1)OCc1nnc(n1c1ccc(cc1)OC)S |
| Stereo: | ACHIRAL |
| logP: | 3.2083 |
| logD: | 1.949 |
| logSw: | -3.1569 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.477 |
| InChI Key: | HDOHNPZUXROXCK-UHFFFAOYSA-N |