3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C639-0452 |
| Compound Name: | 3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C18 H14 N4 O2 S3 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(o2)SCc2ccccc2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.87 |
| logD: | 4.18 |
| logSw: | -5.74 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 213.49 |
| InChI Key: | XMENKWYCMAITEI-UHFFFAOYSA-N |