rel-(11R,11aS)-11-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8,9-dimethoxy-1,2,3,4,11,11a-hexahydro-6H-pyrido[1,2-b]isoquinolin-6-one
Chemical Structure Depiction of
rel-(11R,11aS)-11-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8,9-dimethoxy-1,2,3,4,11,11a-hexahydro-6H-pyrido[1,2-b]isoquinolin-6-one
rel-(11R,11aS)-11-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8,9-dimethoxy-1,2,3,4,11,11a-hexahydro-6H-pyrido[1,2-b]isoquinolin-6-one
Compound characteristics
| Compound ID: | C066-2736 |
| Compound Name: | rel-(11R,11aS)-11-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8,9-dimethoxy-1,2,3,4,11,11a-hexahydro-6H-pyrido[1,2-b]isoquinolin-6-one |
| Molecular Weight: | 483.99 |
| Molecular Formula: | C26 H30 Cl N3 O4 |
| Smiles: | COc1cc2C(N3CCCC[C@H]3[C@H](C(N3CCN(CC3)c3cccc(c3)[Cl])=O)c2cc1OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0609 |
| logD: | 3.0609 |
| logSw: | -3.419 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.563 |
| InChI Key: | JJHRZEBMGAARKA-QPPBQGQZSA-N |