N-{4-[(4-hydroxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[(4-hydroxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-nitrobenzamide
N-{4-[(4-hydroxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8008-2294 |
| Compound Name: | N-{4-[(4-hydroxyphenyl)methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-3-nitrobenzamide |
| Molecular Weight: | 531.74 |
| Molecular Formula: | C23 H13 Cl3 N4 O5 |
| Smiles: | C(=C1/C(NC(c2cccc(c2)[N+]([O-])=O)=O)=NN(C1=O)c1c(cc(cc1[Cl])[Cl])[Cl])/c1ccc(cc1)O |
| Stereo: | ACHIRAL |
| logP: | 5.1359 |
| logD: | 1.0289 |
| logSw: | -5.378 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.474 |
| InChI Key: | BGUFHXKWVLUMIH-UHFFFAOYSA-N |