2-[(2-chloro-4-fluorophenyl)methyl]-N,N-diethyl-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-4-fluorophenyl)methyl]-N,N-diethyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
2-[(2-chloro-4-fluorophenyl)methyl]-N,N-diethyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2271 |
| Compound Name: | 2-[(2-chloro-4-fluorophenyl)methyl]-N,N-diethyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 380.85 |
| Molecular Formula: | C18 H22 Cl F N4 O2 |
| Smiles: | CCN(CC)C(C1CCCN2C1=NN(Cc1ccc(cc1[Cl])F)C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2652 |
| logD: | 3.2652 |
| logSw: | -3.4212 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.138 |
| InChI Key: | QPCWPVCSAGVIDE-CQSZACIVSA-N |