2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(4-nitrobenzyl)oxy]phenyl}acrylamide
					Chemical Structure Depiction of
2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(4-nitrobenzyl)oxy]phenyl}acrylamide
			2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(4-nitrobenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C277-5011 | 
| Compound Name: | 2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(4-nitrobenzyl)oxy]phenyl}acrylamide | 
| Molecular Weight: | 453.5 | 
| Molecular Formula: | C20 H15 N5 O4 S2 | 
| Smiles: | CSc1nc(NC(C(=C/c2ccc(cc2)OCc2ccc(cc2)[N+]([O-])=O)\C#N)=O)sn1 | 
| Stereo: | ACHIRAL | 
| logP: | 4.85 | 
| logD: | 4.18 | 
| logSw: | -5.85 | 
| Hydrogen bond acceptors count: | 11 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 264.71 | 
| InChI Key: | LQUIBCBHRYIJBP-UHFFFAOYSA-N | 
 
				 
				