1-(8-acetyl-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(pyrimidin-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-[(pyrimidin-2-yl)sulfanyl]ethan-1-one
1-(8-acetyl-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
Compound ID: | Y021-0954 |
Compound Name: | 1-(8-acetyl-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one |
Molecular Weight: | 383.51 |
Molecular Formula: | C21 H25 N3 O2 S |
Smiles: | CC1CC(C)(C)N(C(CSc2ncccn2)=O)c2c1cc(C)cc2C(C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1028 |
logD: | 3.1028 |
logSw: | -3.236 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 46.938 |
InChI Key: | RVDGJTAUCBFJIF-CQSZACIVSA-N |