rel-(11R,11aS)-N-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-8,9-dimethoxy-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide
rel-(11R,11aS)-N-(5-chloro-2-methoxyphenyl)-8,9-dimethoxy-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide
Compound characteristics
| Compound ID: | C066-2789 |
| Compound Name: | rel-(11R,11aS)-N-(5-chloro-2-methoxyphenyl)-8,9-dimethoxy-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide |
| Molecular Weight: | 444.91 |
| Molecular Formula: | C23 H25 Cl N2 O5 |
| Smiles: | COc1ccc(cc1NC([C@@H]1c2cc(c(cc2C(N2CCCC[C@@H]12)=O)OC)OC)=O)[Cl] |
| Stereo: | RELATIVE |
| logP: | 3.0789 |
| logD: | 3.0074 |
| logSw: | -3.5638 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.679 |
| InChI Key: | IBOCSJGUSYRSNW-UTKZUKDTSA-N |