5-{1-[(4-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(4-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(4-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2393 |
| Compound Name: | 5-{1-[(4-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C22 H23 F N4 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(Cc2ccc(cc2)F)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.5396 |
| logD: | 3.5164 |
| logSw: | -3.3775 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.257 |
| InChI Key: | HMIWXVMAQHXKMU-UHFFFAOYSA-N |