rel-(4aR,10bR)-9-bromo-5-(3-ethoxy-2-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-2-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-9-bromo-5-(3-ethoxy-2-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-0455 |
| Compound Name: | rel-(4aR,10bR)-9-bromo-5-(3-ethoxy-2-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: | CCOc1cccc(C2[C@@H]3CCCO[C@@H]3c3cc(ccc3N2)[Br])c1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8774 |
| logD: | 4.8773 |
| logSw: | -4.6037 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.757 |
| InChI Key: | CYNTUCOYAYWOSA-XKCBZBSRSA-N |