5-{[4-(benzyloxy)phenoxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[4-(benzyloxy)phenoxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
5-{[4-(benzyloxy)phenoxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8014-0171 |
| Compound Name: | 5-{[4-(benzyloxy)phenoxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C22 H19 N3 O2 S |
| Smiles: | C(c1ccccc1)Oc1ccc(cc1)OCc1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 4.0274 |
| logD: | 2.7681 |
| logSw: | -4.4049 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.161 |
| InChI Key: | DLXFYLZAZIEITG-UHFFFAOYSA-N |