4-[rel-(3aR,9bR)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid
Chemical Structure Depiction of
4-[rel-(3aR,9bR)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid
4-[rel-(3aR,9bR)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid
Compound characteristics
| Compound ID: | J038-2866 |
| Compound Name: | 4-[rel-(3aR,9bR)-8-ethyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid |
| Molecular Weight: | 323.39 |
| Molecular Formula: | C20 H21 N O3 |
| Smiles: | CCc1ccc2c(c1)[C@@H]1[C@@H](CCO1)C(c1ccc(cc1)C(O)=O)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3603 |
| logD: | 1.3889 |
| logSw: | -4.1704 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.604 |
| InChI Key: | QPVRJALHVJBAIW-JMRRQPBMSA-N |