rel-(6R,9S)-11-(1-ethyl-1H-pyrazole-5-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-(1-ethyl-1H-pyrazole-5-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-(1-ethyl-1H-pyrazole-5-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: | SA14-1433 |
| Compound Name: | rel-(6R,9S)-11-(1-ethyl-1H-pyrazole-5-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: | 446.55 |
| Molecular Formula: | C25 H30 N6 O2 |
| Smiles: | CCn1c(ccn1)C(N1[C@H]2CC[C@@H]1Cn1c(C2)c(C(NC(C)C)=O)nc1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8917 |
| logD: | 1.8917 |
| logSw: | -2.3502 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.089 |
| InChI Key: | BUEVLZRBHIQCEP-MOPGFXCFSA-N |