5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0969 |
| Compound Name: | 5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C22 H22 F2 N4 O2 |
| Smiles: | C1CN(CCC1C1=NNC(N1Cc1ccc(cc1)F)=O)C(Cc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7596 |
| logD: | 3.759 |
| logSw: | -3.9648 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.868 |
| InChI Key: | CUVOWOWVBMKJAR-UHFFFAOYSA-N |