1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one
Chemical Structure Depiction of
1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one
1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S517-0727 |
| Compound Name: | 1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one |
| Molecular Weight: | 340.47 |
| Molecular Formula: | C20 H28 N4 O |
| Smiles: | CCn1cnnc1CC1CCN(CC1)C(CCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8695 |
| logD: | 2.8655 |
| logSw: | -3.2033 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.417 |
| InChI Key: | UGOFOUPGHZTHJX-UHFFFAOYSA-N |