4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8008-8573 |
| Compound Name: | 4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C25 H21 N3 O5 |
| Smiles: | CCOc1cc(/C=C2/C(c3ccccc3)=NN(C2=O)c2ccc(cc2)[N+]([O-])=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3676 |
| logD: | 4.3676 |
| logSw: | -4.4282 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.364 |
| InChI Key: | HESPMUWNVZIAII-UHFFFAOYSA-N |