5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 5742-0470 |
| Compound Name: | 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C21 H17 N3 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Oc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 4.9889 |
| logD: | 3.4463 |
| logSw: | -4.7341 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.749 |
| InChI Key: | NWHOEKOSUZMPOC-UHFFFAOYSA-N |