4-[(3,4-dichloroanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(3,4-dichloroanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
4-[(3,4-dichloroanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-3704 |
| Compound Name: | 4-[(3,4-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(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9972 |
| logD: | 3.3429 |
| logSw: | -5.3107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.396 |
| InChI Key: | CJODOKQNVIWLQR-UHFFFAOYSA-N |