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
Available: 107 mg
Amount:
mg
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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
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