5-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1869 |
| Compound Name: | 5-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C23 H25 F N4 O3 |
| Smiles: | Cc1ccc(cc1F)C(N1CCC(CC1)C1=NNC(N1Cc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8514 |
| logD: | 3.8508 |
| logSw: | -3.9759 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.939 |
| InChI Key: | IVTWAXRMTQJJEP-UHFFFAOYSA-N |