rel-(4aR,10bR)-5-(3-bromo-4-ethoxy-5-methoxyphenyl)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Chemical Structure Depiction of
rel-(4aR,10bR)-5-(3-bromo-4-ethoxy-5-methoxyphenyl)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
rel-(4aR,10bR)-5-(3-bromo-4-ethoxy-5-methoxyphenyl)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Compound characteristics
| Compound ID: | J038-0881 |
| Compound Name: | rel-(4aR,10bR)-5-(3-bromo-4-ethoxy-5-methoxyphenyl)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
| Molecular Weight: | 448.36 |
| Molecular Formula: | C22 H26 Br N O4 |
| Smiles: | CCOc1c(cc(cc1[Br])C1[C@@H]2CCCO[C@@H]2c2cc(ccc2N1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7182 |
| logD: | 4.717 |
| logSw: | -4.5057 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.301 |
| InChI Key: | ZMLHSENHWUCUEB-GMTNLFQVSA-N |