4-[(3-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Chemical Structure Depiction of
4-[(3-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
4-[(3-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | 3584-0965 |
| Compound Name: | 4-[(3-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-1-phenylpyrazolidine-3,5-dione |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C27 H26 N2 O5 |
| Smiles: | Cc1cccc(c1)OCCOCCOc1cccc(\C=C2/C(NN(C2=O)c2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0951 |
| logD: | 4.0324 |
| logSw: | -4.2377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.595 |
| InChI Key: | POPFBKVCVMDOCJ-UHFFFAOYSA-N |