rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(4-phenylpiperazine-1-carbonyl)octahydroquinolin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(4-phenylpiperazine-1-carbonyl)octahydroquinolin-2(1H)-one
rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(4-phenylpiperazine-1-carbonyl)octahydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T854-0883 |
| Compound Name: | rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(4-phenylpiperazine-1-carbonyl)octahydroquinolin-2(1H)-one |
| Molecular Weight: | 411.59 |
| Molecular Formula: | C25 H37 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCC(C)C)=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0315 |
| logD: | 4.0314 |
| logSw: | -3.9373 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.323 |
| InChI Key: | DJWYUBCTPRDZBE-DHLKQENFSA-N |