1-(8-acetyl-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(8-acetyl-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one
1-(8-acetyl-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y021-0976 |
| Compound Name: | 1-(8-acetyl-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C23 H29 N3 O2 S |
| Smiles: | CC1CC(C)(C)N(C(CSc2nc(C)cc(C)n2)=O)c2c1cc(C)cc2C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8548 |
| logD: | 3.8548 |
| logSw: | -3.9619 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.687 |
| InChI Key: | QBMKDHDLDWKDHQ-CQSZACIVSA-N |