2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0519 |
| Compound Name: | 2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 479.39 |
| Molecular Formula: | C19 H12 F3 N5 O5 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.05 |
| logD: | 0.5 |
| logSw: | -5.81 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 225.48 |
| InChI Key: | PMYLOHWPVXRYAM-UHFFFAOYSA-N |