4-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
Chemical Structure Depiction of
4-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
4-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | C508-0051 |
| Compound Name: | 4-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione |
| Molecular Weight: | 419.39 |
| Molecular Formula: | C22 H17 N3 O6 |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(\C=C2/C(NN(C2=O)c2ccccc2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.8302 |
| logD: | 3.7615 |
| logSw: | -4.0903 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.534 |
| InChI Key: | FTHGQMYSYDNLBP-UHFFFAOYSA-N |