2-[(2-chloro-6-fluorophenyl)methyl]-N-[(2,5-dimethylphenyl)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-chloro-6-fluorophenyl)methyl]-N-[(2,5-dimethylphenyl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
2-[(2-chloro-6-fluorophenyl)methyl]-N-[(2,5-dimethylphenyl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2218 |
| Compound Name: | 2-[(2-chloro-6-fluorophenyl)methyl]-N-[(2,5-dimethylphenyl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C23 H24 Cl F N4 O2 |
| Smiles: | Cc1ccc(C)c(CNC(C2CCCN3C2=NN(Cc2c(cccc2[Cl])F)C3=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6609 |
| logD: | 4.6609 |
| logSw: | -4.7736 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.619 |
| InChI Key: | FAJUIPZARSQGSO-QGZVFWFLSA-N |