N-(4-acetylphenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-6227 |
| Compound Name: | N-(4-acetylphenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C17 H15 N5 O2 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2ccncc2)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1538 |
| logD: | 0.1416 |
| logSw: | -1.8229 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.878 |
| InChI Key: | ADPYSONKPUYLLO-UHFFFAOYSA-N |