2-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-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-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
2-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2263 |
| Compound Name: | 2-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C21 H28 Cl F N6 O2 |
| Smiles: | CN1CCN(CCNC(C2CCCN3C2=NN(Cc2ccc(cc2[Cl])F)C3=O)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8206 |
| logD: | 1.1531 |
| logSw: | -2.8091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.919 |
| InChI Key: | KYYMPUOXICAZRJ-QGZVFWFLSA-N |