1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-one
Chemical Structure Depiction of
1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-one
1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-one
Compound characteristics
| Compound ID: | S517-1442 |
| Compound Name: | 1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | CCn1cnnc1CC1CCN(CC1)C(CCCc1nc(c2ccc(C)cc2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2483 |
| logD: | 3.2443 |
| logSw: | -3.2207 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.759 |
| InChI Key: | FRTWOBGHEZHFOC-UHFFFAOYSA-N |