3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C639-0385 |
| Compound Name: | 3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 468.94 |
| Molecular Formula: | C21 H13 Cl N4 O3 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1ccc(/C=C(/C#N)C(Nc2nnc(c3ccco3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.42 |
| logD: | 5.32 |
| logSw: | -6.39 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 189.78 |
| InChI Key: | OSURNBNGWHBOMU-UHFFFAOYSA-N |