3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Compound characteristics
Compound ID: | L058-0895 |
Compound Name: | 3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide |
Molecular Weight: | 473.59 |
Molecular Formula: | C27 H27 N3 O3 S |
Smiles: | Cc1ccc(CN2C(C(N(CCC(NCc3ccc(cc3)SC)=O)c3ccccc23)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.5175 |
logD: | 4.5174 |
logSw: | -4.1386 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.973 |
InChI Key: | QFYRKMMNZWJQBI-UHFFFAOYSA-N |