4-[(2-chloro-5-nitroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(2-chloro-5-nitroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[(2-chloro-5-nitroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-6140 |
| Compound Name: | 4-[(2-chloro-5-nitroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 356.77 |
| Molecular Formula: | C17 H13 Cl N4 O3 |
| Smiles: | CC1\C(=C/Nc2cc(ccc2[Cl])[N+]([O-])=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4991 |
| logD: | 3.2501 |
| logSw: | -3.8035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.871 |
| InChI Key: | AYTWVQSPJDUZIA-UHFFFAOYSA-N |