3-(4-bromophenyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(4-bromophenyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(4-bromophenyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0095 |
| Compound Name: | 3-(4-bromophenyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 413.27 |
| Molecular Formula: | C13 H9 Br N4 O3 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(cc2)[Br])\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.81 |
| logD: | 0.45 |
| logSw: | -4.06 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 212.58 |
| InChI Key: | AMCJTZAAWGMWQC-UHFFFAOYSA-N |