rel-(4aR,8aR)-1-methyl-4a-[4-(propan-2-yl)piperazine-1-carbonyl]octahydroquinolin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aR)-1-methyl-4a-[4-(propan-2-yl)piperazine-1-carbonyl]octahydroquinolin-2(1H)-one
rel-(4aR,8aR)-1-methyl-4a-[4-(propan-2-yl)piperazine-1-carbonyl]octahydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T854-0312 |
| Compound Name: | rel-(4aR,8aR)-1-methyl-4a-[4-(propan-2-yl)piperazine-1-carbonyl]octahydroquinolin-2(1H)-one |
| Molecular Weight: | 321.46 |
| Molecular Formula: | C18 H31 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2C)=O)C(N1CCN(CC1)C(C)C)=O |
| Stereo: | RELATIVE |
| logP: | 1.0789 |
| logD: | 0.2056 |
| logSw: | -1.1479 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.714 |
| InChI Key: | CKMJXBNTUSYRHL-YJBOKZPZSA-N |