3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0532 |
| Compound Name: | 3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 424.34 |
| Molecular Formula: | C15 H14 Br N5 O S2 |
| Smiles: | CN(C)c1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.21 |
| logD: | 3.54 |
| logSw: | -4.99 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.41 |
| InChI Key: | VAAHAARGSJUCFZ-UHFFFAOYSA-N |