rel-(6R,9S)-11-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-phenyl-N-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-11-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-phenyl-N-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-11-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-phenyl-N-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1459 |
| Compound Name: | rel-(6R,9S)-11-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-phenyl-N-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | CC(C)NC(c1c2C[C@@H]3CC[C@H](Cn2c(c2ccccc2)n1)N3C(c1c(C)noc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.102 |
| logD: | 2.102 |
| logSw: | -2.6215 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.038 |
| InChI Key: | BJEBOOOSXAPLDR-MOPGFXCFSA-N |