1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S517-0907 |
| Compound Name: | 1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C23 H25 F N4 O2 |
| Smiles: | C1CN(CCC1Cc1nncn1Cc1ccccc1)C(COc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7347 |
| logD: | 2.7345 |
| logSw: | -2.8807 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.919 |
| InChI Key: | CRYKUAQTCDSRPQ-UHFFFAOYSA-N |