rel-(11R,11aS)-N-(4-ethylphenyl)-8,9-dimethoxy-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide
Chemical Structure Depiction of
rel-(11R,11aS)-N-(4-ethylphenyl)-8,9-dimethoxy-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide
rel-(11R,11aS)-N-(4-ethylphenyl)-8,9-dimethoxy-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide
Compound characteristics
| Compound ID: | C066-2792F |
| Compound Name: | rel-(11R,11aS)-N-(4-ethylphenyl)-8,9-dimethoxy-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C24 H28 N2 O4 |
| Smiles: | CCc1ccc(cc1)NC([C@@H]1c2cc(c(cc2C(N2CCCC[C@@H]12)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4581 |
| logD: | 3.4581 |
| logSw: | -3.6205 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.746 |
| InChI Key: | ZLAMOVFRBOIWFV-DENIHFKCSA-N |