3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-1279 |
| Compound Name: | 3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 471.35 |
| Molecular Formula: | C16 H15 Br N4 O4 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(c(c2)[Br])O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.69 |
| logD: | 1.33 |
| logSw: | -4.43 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 243.67 |
| InChI Key: | VXUGAOLNYDGDNV-UHFFFAOYSA-N |