5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-8997 |
| Compound Name: | 5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 283.35 |
| Molecular Formula: | C15 H13 N3 O S |
| Smiles: | C(c1nnc(n1c1ccccc1)S)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5845 |
| logD: | 1.3252 |
| logSw: | -2.6762 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.933 |
| InChI Key: | CQOIKLYYYATDDP-UHFFFAOYSA-N |