2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C355-0822 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide |
| Molecular Weight: | 499.52 |
| Molecular Formula: | C21 H17 N5 O6 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(cc2)OCc2ccccc2[N+]([O-])=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.81 |
| logD: | 1.46 |
| logSw: | -4.91 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 272.36 |
| InChI Key: | DVLMJFDVTYJOIC-UHFFFAOYSA-N |