2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl](methyl)amino}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl](methyl)amino}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl](methyl)amino}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | C849-0046 |
| Compound Name: | 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl](methyl)amino}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 452.47 |
| Molecular Formula: | C22 H24 N6 O5 |
| Smiles: | CN(CC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)c1nc(c2ccc(cc2)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.1798 |
| logD: | 3.1798 |
| logSw: | -3.3922 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 95.52 |
| InChI Key: | BQBVDMLSBJNIOT-UHFFFAOYSA-N |