rel-(6R,6aS,9aR)-6-{4-[(thietan-3-yl)oxy]phenyl}-6,6a,7,9a-tetrahydro-5H-benzo[h]cyclopenta[c]quinoline
Chemical Structure Depiction of
rel-(6R,6aS,9aR)-6-{4-[(thietan-3-yl)oxy]phenyl}-6,6a,7,9a-tetrahydro-5H-benzo[h]cyclopenta[c]quinoline
rel-(6R,6aS,9aR)-6-{4-[(thietan-3-yl)oxy]phenyl}-6,6a,7,9a-tetrahydro-5H-benzo[h]cyclopenta[c]quinoline
Compound characteristics
| Compound ID: | 5408-0895 |
| Compound Name: | rel-(6R,6aS,9aR)-6-{4-[(thietan-3-yl)oxy]phenyl}-6,6a,7,9a-tetrahydro-5H-benzo[h]cyclopenta[c]quinoline |
| Molecular Weight: | 385.53 |
| Molecular Formula: | C25 H23 N O S |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2ccc3ccccc3c2N[C@H]1c1ccc(cc1)OC1CSC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.9211 |
| logD: | 5.9211 |
| logSw: | -7.2344 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.5827 |
| InChI Key: | NABCRLYCYNWQGM-CQOQZXRMSA-N |