3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C639-0390 |
| Compound Name: | 3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 485 |
| Molecular Formula: | C21 H13 Cl N4 O2 S3 |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1ccc(/C=C(/C#N)C(Nc2nnc(c3cccs3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.16 |
| logD: | 6.02 |
| logSw: | -6.98 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 177.62 |
| InChI Key: | PILYEJJJFHCJMB-UHFFFAOYSA-N |