rel-(4aR,8aR)-1-(2-methoxyethyl)-2-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(2-methoxyethyl)-2-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(2-methoxyethyl)-2-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0806 |
| Compound Name: | rel-(4aR,8aR)-1-(2-methoxyethyl)-2-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 412.45 |
| Molecular Formula: | C21 H27 F3 N2 O3 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCOC)=O)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.872 |
| logD: | 2.8719 |
| logSw: | -3.3649 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.17 |
| InChI Key: | IZROZBWUOKJKFD-PXNSSMCTSA-N |