2-[5-acetamido-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[5-acetamido-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
2-[5-acetamido-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F071-0033 |
| Compound Name: | 2-[5-acetamido-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 500.94 |
| Molecular Formula: | C22 H18 Cl F N6 O3 S |
| Smiles: | CC(Nc1c(c(nn1CC(Nc1ccc(cc1[Cl])F)=O)SC)c1nc(c2ccccc2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0792 |
| logD: | 4.073 |
| logSw: | -4.5735 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.866 |
| InChI Key: | XRIJVSBOVASAEV-UHFFFAOYSA-N |