rel-(11R,11aS)-N-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide
rel-(11R,11aS)-N-(2,4-dimethoxyphenyl)-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide
Compound characteristics
| Compound ID: | C405-0017 |
| Compound Name: | rel-(11R,11aS)-N-(2,4-dimethoxyphenyl)-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C22 H24 N2 O4 |
| Smiles: | COc1ccc(c(c1)OC)NC([C@@H]1c2ccccc2C(N2CCCC[C@@H]12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8311 |
| logD: | 2.829 |
| logSw: | -3.5708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.961 |
| InChI Key: | KHMKDAUNKDVHJJ-UYAOXDASSA-N |