N-ethyl-4-oxo-N-phenyl-4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butanamide
Chemical Structure Depiction of
N-ethyl-4-oxo-N-phenyl-4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butanamide
N-ethyl-4-oxo-N-phenyl-4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butanamide
Compound characteristics
| Compound ID: | T501-1435 |
| Compound Name: | N-ethyl-4-oxo-N-phenyl-4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butanamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | CCN(C(CCC(N1CCCC(Cc2nncn2c2ccccc2)C1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9884 |
| logD: | 2.9884 |
| logSw: | -3.23 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.904 |
| InChI Key: | PKQKEAMYFWNLBH-OAQYLSRUSA-N |