methyl {4-[(4-methoxyphenyl)methylidene]-1-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Chemical Structure Depiction of
methyl {4-[(4-methoxyphenyl)methylidene]-1-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
methyl {4-[(4-methoxyphenyl)methylidene]-1-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Compound characteristics
| Compound ID: | 8013-5354 |
| Compound Name: | methyl {4-[(4-methoxyphenyl)methylidene]-1-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate |
| Molecular Weight: | 395.37 |
| Molecular Formula: | C20 H17 N3 O6 |
| Smiles: | COC(CC1/C(=C\c2ccc(cc2)OC)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9685 |
| logD: | 2.9685 |
| logSw: | -3.472 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.821 |
| InChI Key: | YXYVQFMLYXPIIT-UHFFFAOYSA-N |