rel-(4aR,8aR)-1-(3-methylbutyl)-4a-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]octahydroquinolin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(3-methylbutyl)-4a-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]octahydroquinolin-2(1H)-one
rel-(4aR,8aR)-1-(3-methylbutyl)-4a-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]octahydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T854-0890 |
| Compound Name: | rel-(4aR,8aR)-1-(3-methylbutyl)-4a-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]octahydroquinolin-2(1H)-one |
| Molecular Weight: | 375.55 |
| Molecular Formula: | C22 H37 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCC(C)C)=O)C(N1CCN(CC1)CC=C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8156 |
| logD: | 2.6239 |
| logSw: | -2.8879 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.853 |
| InChI Key: | CEMDYWLHINMCJX-UGKGYDQZSA-N |