N-{4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-nitrobenzamide
N-{4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8007-1854 |
| Compound Name: | N-{4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-nitrobenzamide |
| Molecular Weight: | 575.79 |
| Molecular Formula: | C25 H17 Cl3 N4 O6 |
| Smiles: | COc1ccc(\C=C2/C(NC(c3cccc(c3)[N+]([O-])=O)=O)=NN(C2=O)c2c(cc(cc2[Cl])[Cl])[Cl])cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.3542 |
| logD: | 1.2472 |
| logSw: | -6.1653 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.117 |
| InChI Key: | UPQDMOORTOLYCU-UHFFFAOYSA-N |