rel-(4aR,8aR)-1-methyl-2-oxo-N-[(4-propoxyphenyl)methyl]octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-methyl-2-oxo-N-[(4-propoxyphenyl)methyl]octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-1-methyl-2-oxo-N-[(4-propoxyphenyl)methyl]octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0408 |
| Compound Name: | rel-(4aR,8aR)-1-methyl-2-oxo-N-[(4-propoxyphenyl)methyl]octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2C)=O)C(NCc1ccc(cc1)OCCC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7975 |
| logD: | 2.7975 |
| logSw: | -3.1452 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.033 |
| InChI Key: | NGRWYUNBBPTGKW-RXVVDRJESA-N |