2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-1213 |
| Compound Name: | 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C17 H18 N4 O5 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.79 |
| logD: | 0.44 |
| logSw: | -3.85 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 257.67 |
| InChI Key: | IOAQJTBAHNECMX-UHFFFAOYSA-N |