2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-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-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-acetylphenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-acetylphenyl)acetamide
Compound characteristics
| Compound ID: | D291-0203 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-acetylphenyl)acetamide |
| Molecular Weight: | 415.43 |
| Molecular Formula: | C17 H17 N7 O4 S |
| Smiles: | CC(c1cccc(c1)NC(CSc1nnc(c2c(NC(C)=O)non2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1634 |
| logD: | 1.1587 |
| logSw: | -2.2228 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.317 |
| InChI Key: | NDXJYZWAKXAVIA-UHFFFAOYSA-N |