N-(2,6-dimethylphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,6-dimethylphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0328 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 415.52 |
| Molecular Formula: | C23 H21 N5 O S |
| Smiles: | Cc1cccc(C)c1NC(CSc1nnc(c2ccncc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6016 |
| logD: | 3.6016 |
| logSw: | -3.6423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.894 |
| InChI Key: | ONHWSZIYZWNOFV-UHFFFAOYSA-N |