2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Chemical Structure Depiction of
2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Compound characteristics
| Compound ID: | K836-0743 |
| Compound Name: | 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C24 H30 N2 O3 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)SC)C(N1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3457 |
| logD: | -0.1618 |
| logSw: | -3.5251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.478 |
| InChI Key: | WVDKQVHNBIAOEP-NRFANRHFSA-N |