1-{2-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{2-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl}piperidine-4-carboxamide
1-{2-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | SC27-2330 |
| Compound Name: | 1-{2-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl}piperidine-4-carboxamide |
| Molecular Weight: | 435.88 |
| Molecular Formula: | C20 H23 Cl F N5 O3 |
| Smiles: | C1CC(C2=NN(Cc3ccc(cc3[Cl])F)C(N2C1)=O)C(N1CCC(CC1)C(N)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8045 |
| logD: | 1.8045 |
| logSw: | -2.6513 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.913 |
| InChI Key: | KSYYETOFTMGEAG-OAHLLOKOSA-N |