4-[(2,4-dichloroanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(2,4-dichloroanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
4-[(2,4-dichloroanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-3029 |
| Compound Name: | 4-[(2,4-dichloroanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 445.18 |
| Molecular Formula: | C17 H9 Cl2 F3 N4 O3 |
| Smiles: | C(=C1/C(C(F)(F)F)=NN(C1=O)c1ccc(cc1)[N+]([O-])=O)\Nc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.871 |
| logD: | 3.2107 |
| logSw: | -5.114 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.698 |
| InChI Key: | JHIZIDBLMIKXPV-UHFFFAOYSA-N |