2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | K822-0228 |
| Compound Name: | 2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C24 H23 N5 O S |
| Smiles: | Cc1cccc(C)c1NC(CSc1nnc(c2cccnc2)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6976 |
| logD: | 3.6681 |
| logSw: | -3.5635 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.241 |
| InChI Key: | YVORJZKAHIUSBX-UHFFFAOYSA-N |