rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[(thiophen-2-yl)methyl]octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[(thiophen-2-yl)methyl]octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[(thiophen-2-yl)methyl]octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0899 |
| Compound Name: | rel-(4aR,8aR)-1-(3-methylbutyl)-2-oxo-N-[(thiophen-2-yl)methyl]octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 362.53 |
| Molecular Formula: | C20 H30 N2 O2 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCC(C)C)=O)C(NCc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7844 |
| logD: | 3.7844 |
| logSw: | -3.7802 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.846 |
| InChI Key: | UDHDTCPPYGBLOL-PXNSSMCTSA-N |