4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid
Chemical Structure Depiction of
4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid
4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid
Compound characteristics
| Compound ID: | J038-0670 |
| Compound Name: | 4-[rel-(4aR,10bR)-9-ethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C21 H23 N O3 |
| Smiles: | CCc1ccc2c(c1)[C@@H]1[C@@H](CCCO1)C(c1ccc(cc1)C(O)=O)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5284 |
| logD: | 1.5569 |
| logSw: | -4.1874 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.238 |
| InChI Key: | MBHJJEFVHXPPCH-OOFVQCGSSA-N |