2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-1547 |
| Compound Name: | 2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C14 H12 N4 O3 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(c(c2)O)O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 2.8 |
| logD: | 2.13 |
| logSw: | -3.8 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 249.23 |
| InChI Key: | ICBKYCCUNDIGMP-UHFFFAOYSA-N |