rel-(4aR,8aR)-N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-1181 |
| Compound Name: | rel-(4aR,8aR)-N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C23 H35 N3 O4 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCN(C)C)=O)C(NCc1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6992 |
| logD: | 0.2754 |
| logSw: | -2.1849 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.954 |
| InChI Key: | ROYNDUOHFQQWLR-REWPJTCUSA-N |