2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0808 |
| Compound Name: | 2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 480.5 |
| Molecular Formula: | C22 H20 N6 O5 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.02 |
| logD: | 4.86 |
| logSw: | -5.91 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.2 |
| InChI Key: | DATHBDQRAILPOP-UHFFFAOYSA-N |