rel-(6R,9S)-11-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-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-5-methyl-1H-pyrazol-4-yl)methyl]-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-5-methyl-1H-pyrazol-4-yl)methyl]-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: | SA14-1319 |
| Compound Name: | rel-(6R,9S)-11-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 432.57 |
| Molecular Formula: | C25 H32 N6 O |
| Smiles: | CCn1c(C)c(CN2[C@H]3CC[C@@H]2Cn2c(C3)c(C(N(C)C)=O)nc2c2ccccc2)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7454 |
| logD: | 1.1007 |
| logSw: | -2.0405 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.682 |
| InChI Key: | CXCIDFGLCSFLLS-NHCUHLMSSA-N |