3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C639-0522 |
| Compound Name: | 3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C20 H18 N4 O4 S3 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(o2)SCc2ccccc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.31 |
| logD: | 1.93 |
| logSw: | -4.65 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 236.67 |
| InChI Key: | UOSZQHNAFKNNBW-UHFFFAOYSA-N |