2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)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-(2H-1,3-benzodioxol-5-yl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | D291-0328 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 479.47 |
| Molecular Formula: | C21 H17 N7 O5 S |
| Smiles: | CC(Nc1c(c2nnc(n2c2ccccc2)SCC(Nc2ccc3c(c2)OCO3)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7068 |
| logD: | 2.7063 |
| logSw: | -3.2079 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.267 |
| InChI Key: | SAEVUUFVFCWGEC-UHFFFAOYSA-N |