2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0566 |
| Compound Name: | 2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C16 H17 N5 O3 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(cc2)N(C)C)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.71 |
| logD: | 0.36 |
| logSw: | -3.8 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 201.3 |
| InChI Key: | YCVSESOGIBJPPJ-UHFFFAOYSA-N |