5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-4-[(4-methylphenyl)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-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0133 |
| Compound Name: | 5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C23 H25 F N4 O2 |
| Smiles: | Cc1ccc(CN2C(C3CCN(CC3)C(Cc3cccc(c3)F)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.154 |
| logD: | 4.1533 |
| logSw: | -4.1937 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.868 |
| InChI Key: | KKJDHHIRFBMECJ-UHFFFAOYSA-N |