2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | K822-0242 |
| Compound Name: | 2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 325.39 |
| Molecular Formula: | C16 H15 N5 O S |
| Smiles: | Cn1c(c2cccnc2)nnc1SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5426 |
| logD: | 1.5086 |
| logSw: | -1.7218 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.718 |
| InChI Key: | SVKAVJVEBUKLKI-UHFFFAOYSA-N |