2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
Compound characteristics
| Compound ID: | C355-1248 |
| Compound Name: | 2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C16 H16 N4 O3 S3 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(cc2)SC)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.67 |
| logD: | 1.32 |
| logSw: | -4.62 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 241.09 |
| InChI Key: | HYDBAFJUSBLCAV-UHFFFAOYSA-N |