rel-(4aR,10bR)-9-bromo-5-(3-ethoxy-4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Chemical Structure Depiction of
rel-(4aR,10bR)-9-bromo-5-(3-ethoxy-4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-9-bromo-5-(3-ethoxy-4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-0450 |
| Compound Name: | rel-(4aR,10bR)-9-bromo-5-(3-ethoxy-4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
| Molecular Weight: | 418.33 |
| Molecular Formula: | C21 H24 Br N O3 |
| Smiles: | CCOc1cc(ccc1OC)C1[C@@H]2CCCO[C@@H]2c2cc(ccc2N1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3015 |
| logD: | 4.3015 |
| logSw: | -4.3592 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.671 |
| InChI Key: | FOQNSVXEONOTQH-BUJZBAMKSA-N |