5-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2204 |
| Compound Name: | 5-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 400.84 |
| Molecular Formula: | C20 H18 Cl F N4 O2 |
| Smiles: | C1CN(CCC1C1=NNC(N1c1ccccc1)=O)C(c1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.312 |
| logD: | 3.2888 |
| logSw: | -3.87 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.784 |
| InChI Key: | WQBPUPLKCVYKMD-UHFFFAOYSA-N |