2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetylphenyl)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-(4-acetylphenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetylphenyl)acetamide
Compound characteristics
| Compound ID: | D291-0072 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetylphenyl)acetamide |
| Molecular Weight: | 429.46 |
| Molecular Formula: | C18 H19 N7 O4 S |
| Smiles: | CCn1c(c2c(NC(C)=O)non2)nnc1SCC(Nc1ccc(cc1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5792 |
| logD: | 1.5744 |
| logSw: | -2.2574 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.231 |
| InChI Key: | LQZJIXYQPJOPDJ-UHFFFAOYSA-N |