N-(4-acetylphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-3974 |
| Compound Name: | N-(4-acetylphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 367.43 |
| Molecular Formula: | C18 H17 N5 O2 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2ccncc2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5079 |
| logD: | 1.5063 |
| logSw: | -1.9678 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.455 |
| InChI Key: | BLIACXJKVJBJBW-UHFFFAOYSA-N |