4-[rel-(4aR,10bR)-9-bromo-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-bromo-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid
4-[rel-(4aR,10bR)-9-bromo-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid
Compound characteristics
| Compound ID: | J038-0417 |
| Compound Name: | 4-[rel-(4aR,10bR)-9-bromo-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid |
| Molecular Weight: | 388.26 |
| Molecular Formula: | C19 H18 Br N O3 |
| Smiles: | C1C[C@H]2C(c3ccc(cc3)C(O)=O)Nc3ccc(cc3[C@H]2OC1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3719 |
| logD: | 1.4004 |
| logSw: | -4.2214 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.238 |
| InChI Key: | DZCMDZAVIRVBGZ-CFNGDTMJSA-N |