2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | F071-0692 |
| Compound Name: | 2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C24 H24 F N7 O2 S |
| Smiles: | CSc1c(c(N)n(CC(N2CCN(CC2)c2ccc(cc2)F)=O)n1)c1nc(c2ccccc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.4152 |
| logD: | 3.4151 |
| logSw: | -3.8253 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.384 |
| InChI Key: | IPNXOYCRQPAUJG-UHFFFAOYSA-N |