4-[(furan-2-yl)methyl]-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-[(furan-2-yl)methyl]-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-[(furan-2-yl)methyl]-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | K822-0236 |
| Compound Name: | 4-[(furan-2-yl)methyl]-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 258.3 |
| Molecular Formula: | C12 H10 N4 O S |
| Smiles: | C(c1ccco1)N1C(c2ccncc2)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.019 |
| logD: | 1.8057 |
| logSw: | -2.1173 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.762 |
| InChI Key: | PRWBCAUIHYTNSI-UHFFFAOYSA-N |