3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0688 |
| Compound Name: | 3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 470.36 |
| Molecular Formula: | C16 H16 Br N5 O3 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)[Br])N(C)C)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.32 |
| logD: | 0.97 |
| logSw: | -4.26 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 195.1 |
| InChI Key: | RLVUOFLWXCTOMJ-UHFFFAOYSA-N |