5-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-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-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2407 |
| Compound Name: | 5-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C22 H25 N5 O4 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(c2ccc(nc2OC)OC)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.5166 |
| logD: | 3.4934 |
| logSw: | -3.4673 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.145 |
| InChI Key: | OJKUNSUQSQZGSJ-UHFFFAOYSA-N |