5-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1824 |
| Compound Name: | 5-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C22 H22 Cl F N4 O3 |
| Smiles: | COc1ccc(CN2C(C3CCN(CC3)C(c3ccc(cc3[Cl])F)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8916 |
| logD: | 3.891 |
| logSw: | -4.4444 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.939 |
| InChI Key: | HKRCIULZHRXUOY-UHFFFAOYSA-N |