5-[1-(4-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(4-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(4-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0998 |
| Compound Name: | 5-[1-(4-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C22 H22 Cl F N4 O3 |
| Smiles: | COc1cc(ccc1C(N1CCC(CC1)C1=NNC(N1Cc1ccc(cc1)F)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3079 |
| logD: | 4.3073 |
| logSw: | -4.5504 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.026 |
| InChI Key: | YVHYQGFEFONJHS-UHFFFAOYSA-N |