4-benzyl-2-(hydroxymethyl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-benzyl-2-(hydroxymethyl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-benzyl-2-(hydroxymethyl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8012-2185 |
| Compound Name: | 4-benzyl-2-(hydroxymethyl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C15 H14 N4 O S |
| Smiles: | C(c1ccccc1)N1C(c2ccncc2)=NN(CO)C1=S |
| Stereo: | ACHIRAL |
| logP: | 1.9359 |
| logD: | 1.9137 |
| logSw: | -1.6655 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.562 |
| InChI Key: | FTXOLXNCYMBMRI-UHFFFAOYSA-N |