5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0958 |
| Compound Name: | 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C23 H25 F N4 O2 |
| Smiles: | Cc1cc(C)cc(c1)C(N1CCC(CC1)C1=NNC(N1Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.097 |
| logD: | 4.0964 |
| logSw: | -4.1134 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.396 |
| InChI Key: | IQDMOIOTHJTULJ-UHFFFAOYSA-N |