2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
Compound characteristics
| Compound ID: | C356-0686 |
| Compound Name: | 2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C15 H14 N4 O3 S3 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(cc2)SC)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.34 |
| logD: | 0.99 |
| logSw: | -4.21 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 247.6 |
| InChI Key: | XNHFIJYICKWNOX-UHFFFAOYSA-N |