2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0235 |
| Compound Name: | 2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C13 H10 N4 O5 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(c(c2)O)O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.86 |
| logD: | -1.49 |
| logSw: | -2.13 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 292.7 |
| InChI Key: | ODRUDKKUHDHQHM-UHFFFAOYSA-N |