rel-(6R,9S)-11-(1-ethyl-1H-pyrazole-5-carbonyl)-N,N-dimethyl-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-(1-ethyl-1H-pyrazole-5-carbonyl)-N,N-dimethyl-3-phenyl-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)-N,N-dimethyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1332 |
| Compound Name: | rel-(6R,9S)-11-(1-ethyl-1H-pyrazole-5-carbonyl)-N,N-dimethyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C24 H28 N6 O2 |
| Smiles: | CCn1c(ccn1)C(N1[C@H]2CC[C@@H]1Cn1c(C2)c(C(N(C)C)=O)nc1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9309 |
| logD: | 0.9309 |
| logSw: | -1.5644 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.43 |
| InChI Key: | VRWKCSIRANAUJM-MSOLQXFVSA-N |