rel-(4aR,10bR)-5-(3-chloro-4,5-dimethoxyphenyl)-9-fluoro-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-dimethoxyphenyl)-9-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-5-(3-chloro-4,5-dimethoxyphenyl)-9-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
Compound ID: | J038-0236 |
Compound Name: | rel-(4aR,10bR)-5-(3-chloro-4,5-dimethoxyphenyl)-9-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
Molecular Weight: | 377.84 |
Molecular Formula: | C20 H21 Cl F N O3 |
Smiles: | COc1cc(cc(c1OC)[Cl])C1[C@@H]2CCCO[C@@H]2c2cc(ccc2N1)F |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.4841 |
logD: | 4.484 |
logSw: | -4.5282 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.178 |
InChI Key: | RYMNAUIVIVWUDV-LPHKOSDUSA-N |