methyl 4-[rel-(4aR,10bR)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoate
Chemical Structure Depiction of
methyl 4-[rel-(4aR,10bR)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoate
methyl 4-[rel-(4aR,10bR)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoate
Compound characteristics
| Compound ID: | J038-0831 |
| Compound Name: | methyl 4-[rel-(4aR,10bR)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoate |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C21 H23 N O4 |
| Smiles: | COC(c1ccc(cc1)C1[C@@H]2CCCO[C@@H]2c2cc(ccc2N1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8797 |
| logD: | 3.8797 |
| logSw: | -4.0237 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.548 |
| InChI Key: | XJRAVPUBGOGFAS-OOFVQCGSSA-N |