5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0056 |
| Compound Name: | 5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C17 H20 F2 N4 O2 |
| Smiles: | CCN1C(C2CCN(CC2)C(c2cc(ccc2F)F)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.4822 |
| logD: | 2.4814 |
| logSw: | -2.7281 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.741 |
| InChI Key: | IGFCNSRSLINGIA-UHFFFAOYSA-N |