2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-acetylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-acetylphenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-acetylphenyl)acetamide
Compound characteristics
| Compound ID: | D291-0338 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-acetylphenyl)acetamide |
| Molecular Weight: | 477.5 |
| Molecular Formula: | C22 H19 N7 O4 S |
| Smiles: | CC(c1cccc(c1)NC(CSc1nnc(c2c(NC(C)=O)non2)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6145 |
| logD: | 2.6141 |
| logSw: | -3.0524 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.979 |
| InChI Key: | BQSXUWNJJWIEKL-UHFFFAOYSA-N |