2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C355-1341 |
| Compound Name: | 2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide |
| Molecular Weight: | 513.55 |
| Molecular Formula: | C22 H19 N5 O6 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(cc2)OCc2ccccc2[N+]([O-])=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.26 |
| logD: | 1.91 |
| logSw: | -5.46 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 275.35 |
| InChI Key: | PTNYNUUHMOJFJS-UHFFFAOYSA-N |