4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one
Chemical Structure Depiction of
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | T501-1425 |
| Compound Name: | 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C27 H30 N6 O2 |
| Smiles: | Cc1ccc(cc1)c1nc(CCCC(N2CCCC(Cc3nncn3c3ccccc3)C2)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4065 |
| logD: | 4.4065 |
| logSw: | -4.4198 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.156 |
| InChI Key: | HJAAQSKRHXMRHR-OAQYLSRUSA-N |