rel-(6R,9S)-3-phenyl-11-(4-phenylbutanoyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-3-phenyl-11-(4-phenylbutanoyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-3-phenyl-11-(4-phenylbutanoyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1168 |
| Compound Name: | rel-(6R,9S)-3-phenyl-11-(4-phenylbutanoyl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C26 H28 N4 O2 |
| Smiles: | C(CC(N1[C@H]2CC[C@@H]1Cn1c(C2)c(C(N)=O)nc1c1ccccc1)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3342 |
| logD: | 3.3342 |
| logSw: | -3.5149 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.872 |
| InChI Key: | DYULLDBFYGBSKM-NHCUHLMSSA-N |