4-benzyl-5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0879 |
| Compound Name: | 4-benzyl-5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C22 H22 F2 N4 O2 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCN(CC2)C(c2cc(ccc2F)F)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7843 |
| logD: | 3.7842 |
| logSw: | -3.8449 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.745 |
| InChI Key: | ZPBBNCRLFACNPM-UHFFFAOYSA-N |