rel-(4aR,8aR)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0793 |
| Compound Name: | rel-(4aR,8aR)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 396.89 |
| Molecular Formula: | C20 H26 Cl F N2 O3 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCOC)=O)C(NCc1ccc(cc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0962 |
| logD: | 3.0961 |
| logSw: | -3.504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.17 |
| InChI Key: | YAULWSYNLXHEPR-PXNSSMCTSA-N |