2-chloro-4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
Chemical Structure Depiction of
2-chloro-4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
2-chloro-4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
Compound characteristics
Compound ID: | J038-0752 |
Compound Name: | 2-chloro-4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol |
Molecular Weight: | 343.85 |
Molecular Formula: | C20 H22 Cl N O2 |
Smiles: | CCc1ccc2c(c1)[C@@H]1[C@@H](CCCO1)C(c1ccc(c(c1)[Cl])O)N2 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.9822 |
logD: | 4.9463 |
logSw: | -4.7276 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 37.378 |
InChI Key: | XXEWUUMFAXWNKK-XLDGYAMZSA-N |