5-ethoxy-2-(4-nitrophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-ethoxy-2-(4-nitrophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-ethoxy-2-(4-nitrophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2339-2215 |
| Compound Name: | 5-ethoxy-2-(4-nitrophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 427.41 |
| Molecular Formula: | C21 H21 N3 O7 |
| Smiles: | CCOC1/C(=C/c2cc(c(cc2OC)OC)OC)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9926 |
| logD: | 2.9926 |
| logSw: | -3.3782 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.838 |
| InChI Key: | SWQMQCHRLPNCEO-UHFFFAOYSA-N |