rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[2-(pyridin-3-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[2-(pyridin-3-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[2-(pyridin-3-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0904 |
| Compound Name: | rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[2-(pyridin-3-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C22 H33 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCC(C)C)=O)C(NCCc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2899 |
| logD: | 2.2883 |
| logSw: | -2.0535 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.187 |
| InChI Key: | ABYTUEXIOLAJQK-UGKGYDQZSA-N |