rel-(6R,9S)-11-[(1,5-dimethyl-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-[(1,5-dimethyl-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-[(1,5-dimethyl-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: | SA14-1349 |
| Compound Name: | rel-(6R,9S)-11-[(1,5-dimethyl-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: | 418.54 |
| Molecular Formula: | C24 H30 N6 O |
| Smiles: | Cc1c(CN2[C@H]3CC[C@@H]2Cn2c(C3)c(C(N(C)C)=O)nc2c2ccccc2)cnn1C |
| Stereo: | RELATIVE |
| logP: | 1.2984 |
| logD: | 1.0796 |
| logSw: | -1.7807 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.243 |
| InChI Key: | ZHHDENVKFGSYAW-WOJBJXKFSA-N |