2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
Compound ID: | C355-0996 |
Compound Name: | 2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
Molecular Weight: | 408.45 |
Molecular Formula: | C16 H16 N4 O5 S2 |
Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(c(c2)O)O)\C#N)=O)sn1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.37 |
logD: | 0.02 |
logSw: | -3.95 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 277.46 |
InChI Key: | BEKDIHXFIUTXEG-UHFFFAOYSA-N |