2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(1-phenylpropyl)-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-phenylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0438 |
| Compound Name: | 2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 529.57 |
| Molecular Formula: | C27 H23 N5 O5 S |
| Smiles: | CCC(c1ccccc1)c1nnc(NC(C(=C/c2ccc(c3ccc(cc3[N+]([O-])=O)OCC)o2)\C#N)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.66 |
| logD: | 5.36 |
| logSw: | -7.19 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 222.4 |
| InChI Key: | ICHUGSUDAGUMTK-OAQYLSRUSA-N |