rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(4-methylpiperazine-1-carbonyl)octahydroquinolin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(4-methylpiperazine-1-carbonyl)octahydroquinolin-2(1H)-one
rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(4-methylpiperazine-1-carbonyl)octahydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T854-1005 |
| Compound Name: | rel-(4aR,8aR)-1-(3-methylbutyl)-4a-(4-methylpiperazine-1-carbonyl)octahydroquinolin-2(1H)-one |
| Molecular Weight: | 349.52 |
| Molecular Formula: | C20 H35 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCC(C)C)=O)C(N1CCN(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2143 |
| logD: | 1.7414 |
| logSw: | -1.9539 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.539 |
| InChI Key: | WITLMQFHWHRQMA-PXNSSMCTSA-N |