rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[2-(thiophen-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[2-(thiophen-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[2-(thiophen-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0905 |
| Compound Name: | rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[2-(thiophen-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 376.56 |
| Molecular Formula: | C21 H32 N2 O2 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCC(C)C)=O)C(NCCc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7019 |
| logD: | 3.7019 |
| logSw: | -3.8139 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.688 |
| InChI Key: | JGPGSDOQQBOFKK-RXVVDRJESA-N |