rel-(4aR,8aR)-1-(2-methoxyethyl)-N-methyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-methyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-methyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0632 |
| Compound Name: | rel-(4aR,8aR)-1-(2-methoxyethyl)-N-methyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C21 H31 N3 O3 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCOC)=O)C(N(C)CCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.01 |
| logD: | 0.9652 |
| logSw: | -1.4015 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.314 |
| InChI Key: | JJVSNTYEYBWNNE-RXVVDRJESA-N |