3-(4-bromophenyl)-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(4-bromophenyl)-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(4-bromophenyl)-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0095 |
| Compound Name: | 3-(4-bromophenyl)-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 413.27 |
| Molecular Formula: | C13 H9 Br N4 O3 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(cc2)[Br])\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.68 |
| logD: | 0.33 |
| logSw: | -3.89 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 203.07 |
| InChI Key: | VDEDWAZTEFIVMG-UHFFFAOYSA-N |