rel-(4aR,8aR)-1-(2-methoxyethyl)-4a-(thiomorpholine-4-carbonyl)octahydroquinolin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(2-methoxyethyl)-4a-(thiomorpholine-4-carbonyl)octahydroquinolin-2(1H)-one
rel-(4aR,8aR)-1-(2-methoxyethyl)-4a-(thiomorpholine-4-carbonyl)octahydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T854-0656 |
| Compound Name: | rel-(4aR,8aR)-1-(2-methoxyethyl)-4a-(thiomorpholine-4-carbonyl)octahydroquinolin-2(1H)-one |
| Molecular Weight: | 340.48 |
| Molecular Formula: | C17 H28 N2 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCOC)=O)C(N1CCSCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0849 |
| logD: | 1.0849 |
| logSw: | -1.5824 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.405 |
| InChI Key: | BLYFIITVMWBFAT-YOEHRIQHSA-N |