2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-([1,1'-biphenyl]-2-yl)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-([1,1'-biphenyl]-2-yl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-([1,1'-biphenyl]-2-yl)acetamide
Compound characteristics
| Compound ID: | D291-0213 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-([1,1'-biphenyl]-2-yl)acetamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C21 H19 N7 O3 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCC(Nc2ccccc2c2ccccc2)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6313 |
| logD: | 2.6265 |
| logSw: | -3.5042 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.521 |
| InChI Key: | VOSXZLIXXNKXLD-UHFFFAOYSA-N |