3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-5622 |
| Compound Name: | 3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 466.42 |
| Molecular Formula: | C18 H20 Br N5 O S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(c(c2)[Br])N(C)C)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.41 |
| logD: | 4.73 |
| logSw: | -6.2 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.87 |
| InChI Key: | JNQXVAIIVANZCG-UHFFFAOYSA-N |