4-[(2-methoxy-5-nitrophenyl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(2-methoxy-5-nitrophenyl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[(2-methoxy-5-nitrophenyl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8008-6498 |
| Compound Name: | 4-[(2-methoxy-5-nitrophenyl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 337.33 |
| Molecular Formula: | C18 H15 N3 O4 |
| Smiles: | CC1/C(=C/c2cc(ccc2OC)[N+]([O-])=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4859 |
| logD: | 3.4859 |
| logSw: | -3.7802 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.599 |
| InChI Key: | XKNIWNIEUYEFJN-UHFFFAOYSA-N |