2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-yl)acetamide
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | D419-0003 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-yl)acetamide |
| Molecular Weight: | 352.46 |
| Molecular Formula: | C19 H20 N4 O S |
| Smiles: | CC(C)NC(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3205 |
| logD: | 3.3205 |
| logSw: | -3.7075 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.43 |
| InChI Key: | BLKSCFFQTUUXPF-UHFFFAOYSA-N |