2-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-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-6-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
2-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2188 |
| Compound Name: | 2-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 428.89 |
| Molecular Formula: | C22 H22 Cl F N4 O2 |
| Smiles: | Cc1ccccc1CNC(C1CCCN2C1=NN(Cc1c(cccc1[Cl])F)C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2335 |
| logD: | 4.2335 |
| logSw: | -4.3745 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.619 |
| InChI Key: | PPCUHKAPMXBQCV-MRXNPFEDSA-N |