4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
Chemical Structure Depiction of
4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | C508-0050 |
| Compound Name: | 4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione |
| Molecular Weight: | 389.37 |
| Molecular Formula: | C21 H15 N3 O5 |
| Smiles: | Cc1ccc(cc1c1ccc(\C=C2/C(NN(C2=O)c2ccccc2)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7644 |
| logD: | 3.6957 |
| logSw: | -4.0259 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.711 |
| InChI Key: | PUQQWXTWUNERRA-UHFFFAOYSA-N |