rel-(6R,9S)-11-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-3-phenyl-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)-N-methyl-3-phenyl-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)-N-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1280 |
| Compound Name: | rel-(6R,9S)-11-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | Cc1c(C(N2[C@H]3CC[C@@H]2Cn2c(C3)c(C(NC)=O)nc2c2ccccc2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3209 |
| logD: | 1.3209 |
| logSw: | -2.0013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.214 |
| InChI Key: | QHNXANQTHJBMKU-SJORKVTESA-N |