rel-(6R,9S)-3-phenyl-11-(propane-1-sulfonyl)-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)-3-phenyl-11-(propane-1-sulfonyl)-N-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-3-phenyl-11-(propane-1-sulfonyl)-N-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1416 |
| Compound Name: | rel-(6R,9S)-3-phenyl-11-(propane-1-sulfonyl)-N-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C22 H30 N4 O3 S |
| Smiles: | CCCS(N1[C@H]2CC[C@@H]1Cn1c(C2)c(C(NC(C)C)=O)nc1c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2991 |
| logD: | 2.2991 |
| logSw: | -2.7214 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.782 |
| InChI Key: | QIMNUSYWELTRLJ-MSOLQXFVSA-N |