rel-(4aR,8aR)-1-methyl-2-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-methyl-2-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-1-methyl-2-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0535 |
| Compound Name: | rel-(4aR,8aR)-1-methyl-2-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 368.4 |
| Molecular Formula: | C19 H23 F3 N2 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2C)=O)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6368 |
| logD: | 2.6368 |
| logSw: | -2.9457 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.615 |
| InChI Key: | ACENBFGEEWZZSV-YJBOKZPZSA-N |