2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-[2-(pyridin-3-yl)ethyl]-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]-3-oxo-N-[2-(pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-[2-(pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2129 |
| Compound Name: | 2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-[2-(pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 429.88 |
| Molecular Formula: | C21 H21 Cl F N5 O2 |
| Smiles: | C1CC(C2=NN(Cc3c(cccc3[Cl])F)C(N2C1)=O)C(NCCc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0661 |
| logD: | 2.0645 |
| logSw: | -2.7817 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.978 |
| InChI Key: | PTDLIEKOGRHXSN-OAHLLOKOSA-N |