4-[(2-methoxy-4-nitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(2-methoxy-4-nitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
4-[(2-methoxy-4-nitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-3391 |
| Compound Name: | 4-[(2-methoxy-4-nitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C19 H18 N4 O4 |
| Smiles: | CC1\C(=C/Nc2ccc(cc2OC)[N+]([O-])=O)C(N(c2ccccc2C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5961 |
| logD: | 3.3984 |
| logSw: | -3.8348 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.201 |
| InChI Key: | QTYVWYAWJWQHMC-UHFFFAOYSA-N |