3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-1239 |
| Compound Name: | 3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 457.32 |
| Molecular Formula: | C15 H13 Br N4 O4 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c(c2)[Br])O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.03 |
| logD: | 0.67 |
| logSw: | -3.9 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 232.44 |
| InChI Key: | DEKNDJSNMGJONS-UHFFFAOYSA-N |