2-cyano-3-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0437 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 515.52 |
| Molecular Formula: | C21 H17 N5 O7 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.04 |
| logD: | 0.68 |
| logSw: | -4.14 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 316.04 |
| InChI Key: | LLTKKBJSHHRMAY-UHFFFAOYSA-N |