rel-(4aR,8aR)-N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-1426 |
| Compound Name: | rel-(4aR,8aR)-N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C27 H34 N2 O4 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCc1ccccc1)=O)C(NCc1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1092 |
| logD: | 4.1092 |
| logSw: | -4.221 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.904 |
| InChI Key: | TZQCNXDLQQMAIT-HOFKKMOUSA-N |