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 | 
 
				 
				