4-{1-[(4-fluorophenoxy)acetyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-{1-[(4-fluorophenoxy)acetyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-{1-[(4-fluorophenoxy)acetyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0069 |
| Compound Name: | 4-{1-[(4-fluorophenoxy)acetyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C17 H21 F N4 O3 |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)C(COc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4857 |
| logD: | 1.4856 |
| logSw: | -1.4462 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.782 |
| InChI Key: | LQLIAAPXEYAEOP-UHFFFAOYSA-N |