4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-4837 |
| Compound Name: | 4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 297.38 |
| Molecular Formula: | C16 H15 N3 O S |
| Smiles: | C(c1ccccc1)n1c(COc2ccccc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.912 |
| logD: | 2.4876 |
| logSw: | -3.0608 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.1897 |
| InChI Key: | UBSDNTVPHQQNPN-UHFFFAOYSA-N |