2-[(2,5-dimethylphenyl)methyl]-N-[(oxan-4-yl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)methyl]-N-[(oxan-4-yl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
2-[(2,5-dimethylphenyl)methyl]-N-[(oxan-4-yl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2083 |
| Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-N-[(oxan-4-yl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | Cc1ccc(C)c(CN2C(N3CCCC(C3=N2)C(NCC2CCOCC2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3794 |
| logD: | 3.3794 |
| logSw: | -3.3704 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.719 |
| InChI Key: | PKQJWKOZFRORDV-LJQANCHMSA-N |