2-bromo-6-ethoxy-4-[rel-(4aR,10bR)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
Chemical Structure Depiction of
2-bromo-6-ethoxy-4-[rel-(4aR,10bR)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
2-bromo-6-ethoxy-4-[rel-(4aR,10bR)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
Compound characteristics
| Compound ID: | J038-0548 |
| Compound Name: | 2-bromo-6-ethoxy-4-[rel-(4aR,10bR)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol |
| Molecular Weight: | 418.33 |
| Molecular Formula: | C21 H24 Br N O3 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1[C@@H]2CCCO[C@@H]2c2cc(C)ccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7563 |
| logD: | 4.7136 |
| logSw: | -4.3548 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.519 |
| InChI Key: | MGSPYMGWTVCTFP-XTAYQOGCSA-N |