rel-(3aR,4S,9bS)-6-chloro-4-{4-[(thietan-3-yl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-6-chloro-4-{4-[(thietan-3-yl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
rel-(3aR,4S,9bS)-6-chloro-4-{4-[(thietan-3-yl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Compound characteristics
Compound ID: | 6177-0126 |
Compound Name: | rel-(3aR,4S,9bS)-6-chloro-4-{4-[(thietan-3-yl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline |
Molecular Weight: | 369.91 |
Molecular Formula: | C21 H20 Cl N O S |
Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cccc(c2N[C@H]1c1ccc(cc1)OC1CSC1)[Cl] |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 5.4751 |
logD: | 5.4751 |
logSw: | -6.2292 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 16.8542 |
InChI Key: | PMSJPCTYTIHYLR-FUHIMQAGSA-N |