5-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0990 |
| Compound Name: | 5-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C22 H22 F2 N4 O3 |
| Smiles: | COc1ccc(cc1F)C(N1CCC(CC1)C1=NNC(N1Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3391 |
| logD: | 3.3385 |
| logSw: | -3.3843 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.026 |
| InChI Key: | ZCMFSOWSYLMFQW-UHFFFAOYSA-N |