1-(4-{[2-(benzylsulfanyl)ethyl]amino}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
Chemical Structure Depiction of
1-(4-{[2-(benzylsulfanyl)ethyl]amino}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
1-(4-{[2-(benzylsulfanyl)ethyl]amino}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
Compound characteristics
Compound ID: | K807-4407 |
Compound Name: | 1-(4-{[2-(benzylsulfanyl)ethyl]amino}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione |
Molecular Weight: | 399.47 |
Molecular Formula: | C20 H21 N3 O4 S |
Smiles: | CC1CC(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)NCCSCc1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9696 |
logD: | 2.9696 |
logSw: | -3.5439 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.888 |
InChI Key: | QNYNIUGSPLCVIJ-CQSZACIVSA-N |