5-(2-chloro-5-nitroanilino)-4-[(4-hydroxyphenyl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-(2-chloro-5-nitroanilino)-4-[(4-hydroxyphenyl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
5-(2-chloro-5-nitroanilino)-4-[(4-hydroxyphenyl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8017-1622 |
| Compound Name: | 5-(2-chloro-5-nitroanilino)-4-[(4-hydroxyphenyl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 538.17 |
| Molecular Formula: | C22 H12 Cl4 N4 O4 |
| Smiles: | C(=C1/C(Nc2cc(ccc2[Cl])[N+]([O-])=O)=NN(C1=O)c1c(cc(cc1[Cl])[Cl])[Cl])/c1ccc(cc1)O |
| Stereo: | ACHIRAL |
| logP: | 6.3285 |
| logD: | 3.2771 |
| logSw: | -6.0636 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.597 |
| InChI Key: | LFAMDBZNWUZIRU-UHFFFAOYSA-N |