2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-{3-[(propan-2-yl)sulfanyl]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-[(propan-2-yl)sulfanyl]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-[(propan-2-yl)sulfanyl]propyl}-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2318 |
| Compound Name: | 2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-{3-[(propan-2-yl)sulfanyl]propyl}-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 440.97 |
| Molecular Formula: | C20 H26 Cl F N4 O2 S |
| Smiles: | CC(C)SCCCNC(C1CCCN2C1=NN(Cc1c(cccc1[Cl])F)C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4128 |
| logD: | 3.4128 |
| logSw: | -3.8046 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.732 |
| InChI Key: | BGAXWRHYWOYLPS-CQSZACIVSA-N |