4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Chemical Structure Depiction of
4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | 8013-0241 |
| Compound Name: | 4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C18 H15 Cl N2 O4 |
| Smiles: | COc1cc(\C=C2/C(NN(C2=O)c2ccccc2)=O)cc(c1OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.03 |
| logD: | 2.9673 |
| logSw: | -3.6064 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.107 |
| InChI Key: | ICZLPOBPENZLSH-UHFFFAOYSA-N |