rel-(6R,9S)-N,N-dimethyl-3-phenyl-11-[3-(1H-pyrazol-1-yl)propanoyl]-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-N,N-dimethyl-3-phenyl-11-[3-(1H-pyrazol-1-yl)propanoyl]-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-N,N-dimethyl-3-phenyl-11-[3-(1H-pyrazol-1-yl)propanoyl]-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1348 |
| Compound Name: | rel-(6R,9S)-N,N-dimethyl-3-phenyl-11-[3-(1H-pyrazol-1-yl)propanoyl]-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: | CN(C)C(c1c2C[C@@H]3CC[C@H](Cn2c(c2ccccc2)n1)N3C(CCn1cccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5344 |
| logD: | 0.5344 |
| logSw: | -1.4349 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.587 |
| InChI Key: | CNAQQOCJYDATIW-RTBURBONSA-N |