2-methyl-4-[4-(methylsulfanyl)phenyl]-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Chemical Structure Depiction of
2-methyl-4-[4-(methylsulfanyl)phenyl]-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
2-methyl-4-[4-(methylsulfanyl)phenyl]-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Compound characteristics
| Compound ID: | K836-0716 |
| Compound Name: | 2-methyl-4-[4-(methylsulfanyl)phenyl]-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C23 H28 N2 O2 S |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(cc1)SC)C(N1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8989 |
| logD: | 0.7826 |
| logSw: | -3.99 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.569 |
| InChI Key: | GNTMAWCWFYNVOC-NRFANRHFSA-N |