methyl 4-[rel-(4aR,10bR)-9-ethyl-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-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoate
methyl 4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoate
Compound characteristics
| Compound ID: | J038-0681 |
| Compound Name: | methyl 4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoate |
| Molecular Weight: | 351.44 |
| Molecular Formula: | C22 H25 N O3 |
| Smiles: | CCc1ccc2c(c1)[C@@H]1[C@@H](CCCO1)C(c1ccc(cc1)C(=O)OC)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.771 |
| logD: | 4.7709 |
| logSw: | -4.6604 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.004 |
| InChI Key: | AVFWLZCZOJIYAD-ADFYKPTQSA-N |