4-[(4-nitroanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4-nitroanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
4-[(4-nitroanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-3031 |
| Compound Name: | 4-[(4-nitroanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 421.29 |
| Molecular Formula: | C17 H10 F3 N5 O5 |
| Smiles: | C(=C1/C(C(F)(F)F)=NN(C1=O)c1ccc(cc1)[N+]([O-])=O)\Nc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5692 |
| logD: | 2.6174 |
| logSw: | -3.6867 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.778 |
| InChI Key: | DAKMILXMWHVWTE-UHFFFAOYSA-N |