2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0685 |
| Compound Name: | 2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C14 H12 N4 O5 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)O)O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.39 |
| logD: | -0.97 |
| logSw: | -2.65 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 272.75 |
| InChI Key: | ISPXVDNGQHXEMT-UHFFFAOYSA-N |