2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4-methylphenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D291-0057 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4-methylphenyl)acetamide |
| Molecular Weight: | 480.34 |
| Molecular Formula: | C17 H18 Br N7 O3 S |
| Smiles: | CCn1c(c2c(NC(C)=O)non2)nnc1SCC(Nc1ccc(C)cc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8185 |
| logD: | 2.8137 |
| logSw: | -3.0827 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.707 |
| InChI Key: | PPNXNGAVCXIZGT-UHFFFAOYSA-N |