2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0827 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 543.58 |
| Molecular Formula: | C23 H21 N5 O7 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(CC)(=O)=O)=O)ccc1OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.83 |
| logD: | 1.48 |
| logSw: | -4.85 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 297.82 |
| InChI Key: | DITDAQWZJNRHPA-UHFFFAOYSA-N |