2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-(2-phenoxyethyl)-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-(2-phenoxyethyl)-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-(2-phenoxyethyl)-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2207 |
| Compound Name: | 2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-(2-phenoxyethyl)-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C22 H22 Cl F N4 O3 |
| Smiles: | C1CC(C2=NN(Cc3c(cccc3[Cl])F)C(N2C1)=O)C(NCCOc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9493 |
| logD: | 3.9493 |
| logSw: | -4.241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.878 |
| InChI Key: | UMEFHKCXLFLESA-MRXNPFEDSA-N |