N-(4-acetylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0268 |
| Compound Name: | N-(4-acetylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C19 H19 N5 O2 S |
| Smiles: | CCn1c(c2cccnc2)nnc1SCC(Nc1ccc(cc1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8909 |
| logD: | 1.874 |
| logSw: | -1.9938 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.459 |
| InChI Key: | WRDMDUPQRNIOCG-UHFFFAOYSA-N |