1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(4-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(4-methylphenoxy)ethan-1-one
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(4-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S517-0947 |
| Compound Name: | 1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(4-methylphenoxy)ethan-1-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | Cc1ccc(cc1)OCC(N1CCC(CC1)Cc1nncn1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.129 |
| logD: | 3.1289 |
| logSw: | -3.0848 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.919 |
| InChI Key: | VNEOMTBVEUCFFF-UHFFFAOYSA-N |