2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-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-[3-(4-methylpiperazin-1-yl)propyl]-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-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2088 |
| Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C24 H36 N6 O2 |
| Smiles: | Cc1ccc(C)c(CN2C(N3CCCC(C3=N2)C(NCCCN2CCN(C)CC2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.265 |
| logD: | 1.0605 |
| logSw: | -2.7364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.919 |
| InChI Key: | QHXPDOOPLXQEDS-OAQYLSRUSA-N |