2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0557 |
| Compound Name: | 2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C16 H16 N4 O5 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OC)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.22 |
| logD: | -0.13 |
| logSw: | -3.87 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 226.84 |
| InChI Key: | KAXZMFZPSOJRFE-UHFFFAOYSA-N |