5-(2-chloro-5-nitroanilino)-4-[(4-methoxyphenyl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-(2-chloro-5-nitroanilino)-4-[(4-methoxyphenyl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
5-(2-chloro-5-nitroanilino)-4-[(4-methoxyphenyl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8017-1691 |
| Compound Name: | 5-(2-chloro-5-nitroanilino)-4-[(4-methoxyphenyl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 552.2 |
| Molecular Formula: | C23 H14 Cl4 N4 O4 |
| Smiles: | COc1ccc(\C=C2/C(Nc3cc(ccc3[Cl])[N+]([O-])=O)=NN(C2=O)c2c(cc(cc2[Cl])[Cl])[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9306 |
| logD: | 3.8793 |
| logSw: | -6.6903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.524 |
| InChI Key: | ZBZPXZQKFDJYRU-UHFFFAOYSA-N |