rel-(11R,11aS)-N-(3-chlorophenyl)-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-(3-chlorophenyl)-8,9-dimethoxy-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide
rel-(11R,11aS)-N-(3-chlorophenyl)-8,9-dimethoxy-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide
Compound characteristics
| Compound ID: | C066-3111 |
| Compound Name: | rel-(11R,11aS)-N-(3-chlorophenyl)-8,9-dimethoxy-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide |
| Molecular Weight: | 414.89 |
| Molecular Formula: | C22 H23 Cl N2 O4 |
| Smiles: | COc1cc2C(N3CCCC[C@H]3[C@H](C(Nc3cccc(c3)[Cl])=O)c2cc1OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.281 |
| logD: | 3.2783 |
| logSw: | -3.7113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.746 |
| InChI Key: | LNGZQPWWTDUPIT-XLIONFOSSA-N |