3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C639-0552 |
| Compound Name: | 3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C18 H14 N4 O4 S3 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(o2)SCc2ccccc2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.33 |
| logD: | 0.96 |
| logSw: | -4.13 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 253.62 |
| InChI Key: | QVAHXLBFDQMHGW-UHFFFAOYSA-N |