2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-3-oxo-N-{2-oxo-2-[(propan-2-yl)amino]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-4-fluorophenyl)methyl]-N-methyl-3-oxo-N-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-3-oxo-N-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2352 |
| Compound Name: | 2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-3-oxo-N-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 437.9 |
| Molecular Formula: | C20 H25 Cl F N5 O3 |
| Smiles: | CC(C)NC(CN(C)C(C1CCCN2C1=NN(Cc1ccc(cc1[Cl])F)C2=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3474 |
| logD: | 2.3474 |
| logSw: | -3.3277 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.073 |
| InChI Key: | YCPOGMLSHXZABM-OAHLLOKOSA-N |