rel-(6R,9S)-11-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-methyl-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-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-11-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1224 |
| Compound Name: | rel-(6R,9S)-11-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-methyl-3-phenyl-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: | Cc1cc(C)n(CCC(N2[C@H]3CC[C@@H]2Cn2c(C3)c(C(NC)=O)nc2c2ccccc2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9008 |
| logD: | 0.9005 |
| logSw: | -2.0061 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.634 |
| InChI Key: | KWKSQHWEZSSDFL-WOJBJXKFSA-N |