rel-(4aR,8aR)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxooctahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxooctahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxooctahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0522 |
| Compound Name: | rel-(4aR,8aR)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxooctahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 352.83 |
| Molecular Formula: | C18 H22 Cl F N2 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2C)=O)C(NCc1ccc(cc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8611 |
| logD: | 2.861 |
| logSw: | -3.52 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.615 |
| InChI Key: | XVLZOPKVUBESKP-YJBOKZPZSA-N |