4-[(4-fluorophenyl)methyl]-5-[1-(phenoxyacetyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-5-[1-(phenoxyacetyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-fluorophenyl)methyl]-5-[1-(phenoxyacetyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1031 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-5-[1-(phenoxyacetyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C22 H23 F N4 O3 |
| Smiles: | C1CN(CCC1C1=NNC(N1Cc1ccc(cc1)F)=O)C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0653 |
| logD: | 3.0647 |
| logSw: | -3.0081 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.367 |
| InChI Key: | BPRWCWOVOBFXBF-UHFFFAOYSA-N |