rel-(4aR,8aR)-4a-(4-ethylpiperazine-1-carbonyl)-1-(3-methylbutyl)octahydroquinolin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aR)-4a-(4-ethylpiperazine-1-carbonyl)-1-(3-methylbutyl)octahydroquinolin-2(1H)-one
rel-(4aR,8aR)-4a-(4-ethylpiperazine-1-carbonyl)-1-(3-methylbutyl)octahydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T854-1115 |
| Compound Name: | rel-(4aR,8aR)-4a-(4-ethylpiperazine-1-carbonyl)-1-(3-methylbutyl)octahydroquinolin-2(1H)-one |
| Molecular Weight: | 363.54 |
| Molecular Formula: | C21 H37 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCC(C)C)=O)C(N1CCN(CC)CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.559 |
| logD: | 1.9782 |
| logSw: | -2.2221 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.599 |
| InChI Key: | DMNCUQOMBXXNJH-RXVVDRJESA-N |