N-(2,5-dimethylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,5-dimethylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0501 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C19 H21 N5 O S |
| Smiles: | CCn1c(c2cccnc2)nnc1SCC(Nc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.39 |
| logD: | 2.3733 |
| logSw: | -2.2709 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.935 |
| InChI Key: | VMWVHCAIHCRYCQ-UHFFFAOYSA-N |