5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0627 |
| Compound Name: | 5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C22 H23 F N4 O2 |
| Smiles: | CN1C(N(C(C2CCN(CC2)C(Cc2cccc(c2)F)=O)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1593 |
| logD: | 3.1591 |
| logSw: | -3.2179 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.606 |
| InChI Key: | CWPBXUHRUGVNNH-UHFFFAOYSA-N |