3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0383 |
| Compound Name: | 3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 447.35 |
| Molecular Formula: | C18 H19 Br N6 O S |
| Smiles: | CN(C)c1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.22 |
| logD: | 4.07 |
| logSw: | -5.15 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 134.28 |
| InChI Key: | ZNYMDJIEFNXKJC-UHFFFAOYSA-N |