4-[rel-(3aR,9bR)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid
Chemical Structure Depiction of
4-[rel-(3aR,9bR)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid
4-[rel-(3aR,9bR)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid
Compound characteristics
| Compound ID: | J038-2711 |
| Compound Name: | 4-[rel-(3aR,9bR)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid |
| Molecular Weight: | 309.36 |
| Molecular Formula: | C19 H19 N O3 |
| Smiles: | Cc1ccc2c(c1)[C@@H]1[C@@H](CCO1)C(c1ccc(cc1)C(O)=O)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8199 |
| logD: | 0.8484 |
| logSw: | -3.7627 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.604 |
| InChI Key: | YDXXSZYRMKTPCP-HXFVUSARSA-N |