4-[rel-(4aR,10bR)-9-methyl-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-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid
4-[rel-(4aR,10bR)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid
Compound characteristics
| Compound ID: | J038-0519 |
| Compound Name: | 4-[rel-(4aR,10bR)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid |
| Molecular Weight: | 323.39 |
| Molecular Formula: | C20 H21 N O3 |
| Smiles: | Cc1ccc2c(c1)[C@@H]1[C@@H](CCCO1)C(c1ccc(cc1)C(O)=O)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.988 |
| logD: | 1.0165 |
| logSw: | -3.9566 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.238 |
| InChI Key: | JCHUHWDWNBNPHH-JMRRQPBMSA-N |