rel-(3aR,4S,9bS)-9-chloro-6-methyl-4-{4-[(thietan-3-yl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-9-chloro-6-methyl-4-{4-[(thietan-3-yl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
rel-(3aR,4S,9bS)-9-chloro-6-methyl-4-{4-[(thietan-3-yl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Compound characteristics
| Compound ID: | 6217-0087 |
| Compound Name: | rel-(3aR,4S,9bS)-9-chloro-6-methyl-4-{4-[(thietan-3-yl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline |
| Molecular Weight: | 383.94 |
| Molecular Formula: | C22 H22 Cl N O S |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2c(ccc(C)c2N[C@H]1c1ccc(cc1)OC1CSC1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3845 |
| logD: | 5.3845 |
| logSw: | -6.1735 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.8542 |
| InChI Key: | ZSHHPKIRTAAKPX-SPEDKVCISA-N |