2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-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-[3-(pyrrolidin-1-yl)propyl]-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-[3-(pyrrolidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2131 |
| Compound Name: | 2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C21 H27 Cl F N5 O2 |
| Smiles: | C1CCN(C1)CCCNC(C1CCCN2C1=NN(Cc1c(cccc1[Cl])F)C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5237 |
| logD: | -0.5668 |
| logSw: | -3.3043 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.809 |
| InChI Key: | HLJKNRVHBHNMKX-OAHLLOKOSA-N |