4-{1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
4-{1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
4-{1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
Compound ID: | D356-1095 |
Compound Name: | 4-{1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one |
Molecular Weight: | 427.52 |
Molecular Formula: | C22 H25 N3 O4 S |
Smiles: | Cc1ccc(CS(N2CCC(CC2)C(N2CC(Nc3ccccc23)=O)=O)(=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.1255 |
logD: | 2.1241 |
logSw: | -2.6571 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.99 |
InChI Key: | NPGJTJFLLOQOHB-UHFFFAOYSA-N |