3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S517-1161 |
| Compound Name: | 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 456.55 |
| Molecular Formula: | C26 H28 N6 O2 |
| Smiles: | Cc1cccc(c1)c1nc(CCC(N2CCC(CC2)Cc2nncn2c2ccccc2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.1632 |
| logD: | 4.1629 |
| logSw: | -4.3634 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.222 |
| InChI Key: | PQJSZSYXZBFACL-UHFFFAOYSA-N |