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 |