2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0529 |
| Compound Name: | 2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 334.37 |
| Molecular Formula: | C13 H10 N4 O3 S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(c(c2)O)O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4 |
| logD: | 1.73 |
| logSw: | -3.73 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 252.56 |
| InChI Key: | PAEHKTCJMISZMU-UHFFFAOYSA-N |