rel-(4aR,10bR)-7,9-dimethyl-5-[4-(methylsulfanyl)phenyl]-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Chemical Structure Depiction of
rel-(4aR,10bR)-7,9-dimethyl-5-[4-(methylsulfanyl)phenyl]-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-7,9-dimethyl-5-[4-(methylsulfanyl)phenyl]-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-1955 |
| Compound Name: | rel-(4aR,10bR)-7,9-dimethyl-5-[4-(methylsulfanyl)phenyl]-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
| Molecular Weight: | 339.5 |
| Molecular Formula: | C21 H25 N O S |
| Smiles: | Cc1cc(C)c2c(c1)[C@@H]1[C@@H](CCCO1)C(c1ccc(cc1)SC)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8171 |
| logD: | 4.8171 |
| logSw: | -4.6361 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 18.578 |
| InChI Key: | DTOTXVBYTGBLOG-ADFYKPTQSA-N |