2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-1287 |
| Compound Name: | 2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C16 H16 N4 O5 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(c(c2)O)O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5 |
| logD: | 0.14 |
| logSw: | -3.72 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 286.97 |
| InChI Key: | DTTQPCJYSXRUKX-UHFFFAOYSA-N |