rel-(4aR,8aR)-4a-(4-acetylpiperazine-1-carbonyl)-1-(3-methylbutyl)octahydroquinolin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aR)-4a-(4-acetylpiperazine-1-carbonyl)-1-(3-methylbutyl)octahydroquinolin-2(1H)-one
rel-(4aR,8aR)-4a-(4-acetylpiperazine-1-carbonyl)-1-(3-methylbutyl)octahydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T854-0874 |
| Compound Name: | rel-(4aR,8aR)-4a-(4-acetylpiperazine-1-carbonyl)-1-(3-methylbutyl)octahydroquinolin-2(1H)-one |
| Molecular Weight: | 377.53 |
| Molecular Formula: | C21 H35 N3 O3 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCC(C)C)=O)C(N1CCN(CC1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0384 |
| logD: | 2.0384 |
| logSw: | -1.8248 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.258 |
| InChI Key: | LXBMGARMCXQRFA-RXVVDRJESA-N |