2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0517 |
| Compound Name: | 2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 426.39 |
| Molecular Formula: | C16 H9 F3 N4 O3 S2 |
| Smiles: | C(c1ccco1)Sc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.66 |
| logD: | 0.11 |
| logSw: | -5.12 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 196.39 |
| InChI Key: | SGZOWCRJHVCKMD-UHFFFAOYSA-N |