4-benzyl-5-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0846 |
| Compound Name: | 4-benzyl-5-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C23 H27 N5 O4 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCN(CC2)C(c2ccc(nc2OC)OC)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5949 |
| logD: | 3.5948 |
| logSw: | -3.6097 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.106 |
| InChI Key: | YVHDUTBCHYIBHV-UHFFFAOYSA-N |