3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C639-0547 |
| Compound Name: | 3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C22 H15 N5 O2 S2 |
| Smiles: | C(c1ccccc1)Sc1ccc(/C=C(/C#N)C(Nc2nnc(c3cccnc3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.39 |
| logD: | 4.28 |
| logSw: | -4.8 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 199.69 |
| InChI Key: | JCLAAPUHBCUJEA-UHFFFAOYSA-N |