2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C356-0434 |
| Compound Name: | 2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C20 H15 N5 O6 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccccc2[N+]([O-])=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.29 |
| logD: | 0.93 |
| logSw: | -4.37 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 292.31 |
| InChI Key: | ATBUJVXFKAIPFU-UHFFFAOYSA-N |