rel-(6R,9S)-N-(2-chlorophenyl)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-N-(2-chlorophenyl)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
rel-(6R,9S)-N-(2-chlorophenyl)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Compound characteristics
| Compound ID: | SA12-0169 |
| Compound Name: | rel-(6R,9S)-N-(2-chlorophenyl)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide |
| Molecular Weight: | 345.83 |
| Molecular Formula: | C17 H20 Cl N5 O |
| Smiles: | CCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(Nc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5721 |
| logD: | 1.5716 |
| logSw: | -2.4407 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.895 |
| InChI Key: | OGUHLWGLOQWANO-UHFFFAOYSA-N |