5-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0972 |
| Compound Name: | 5-[1-(2,4-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: | Cc1ccc(C(N2CCC(CC2)C2=NNC(N2Cc2ccc(cc2)F)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3373 |
| logD: | 4.3367 |
| logSw: | -4.1444 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.396 |
| InChI Key: | NEBBPGGLPLUKPO-UHFFFAOYSA-N |