5-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1010 |
| Compound Name: | 5-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C22 H24 F N5 O4 |
| Smiles: | COc1ccc(C(N2CCC(CC2)C2=NNC(N2Cc2ccc(cc2)F)=O)=O)c(n1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5979 |
| logD: | 3.5973 |
| logSw: | -3.5884 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.757 |
| InChI Key: | ILVSSGZTGCBDMF-UHFFFAOYSA-N |