2-(3,4-dimethylphenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3,4-dimethylphenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8005-3133 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | CC1\C(=C/Nc2ccc(cc2[N+]([O-])=O)OC)C(N(c2ccc(C)c(C)c2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.702 |
| logD: | 4.5644 |
| logSw: | -4.5792 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.114 |
| InChI Key: | UWLFBZWGUYYAER-UHFFFAOYSA-N |