rel-(4aR,10bR)-5-(3-chloro-4,5-diethoxyphenyl)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Chemical Structure Depiction of
rel-(4aR,10bR)-5-(3-chloro-4,5-diethoxyphenyl)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-5-(3-chloro-4,5-diethoxyphenyl)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-0621 |
| Compound Name: | rel-(4aR,10bR)-5-(3-chloro-4,5-diethoxyphenyl)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
| Molecular Weight: | 401.93 |
| Molecular Formula: | C23 H28 Cl N O3 |
| Smiles: | CCOc1cc(cc(c1OCC)[Cl])C1[C@@H]2CCCO[C@@H]2c2cc(C)ccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4462 |
| logD: | 5.4458 |
| logSw: | -6.0269 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.337 |
| InChI Key: | CIJNZUJWJSDNFV-GWGYHSHPSA-N |