4-[3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | T501-1491 |
| Compound Name: | 4-[3-(3,4-dimethoxyphenyl)-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: | 516.6 |
| Molecular Formula: | C28 H32 N6 O4 |
| Smiles: | COc1ccc(cc1OC)c1nc(CCCC(N2CCCC(Cc3nncn3c3ccccc3)C2)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6056 |
| logD: | 3.6056 |
| logSw: | -3.9709 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.417 |
| InChI Key: | SDLTYDJOZZAWOX-HXUWFJFHSA-N |