4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2082-0381 |
| Compound Name: | 4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 353.33 |
| Molecular Formula: | C18 H15 N3 O5 |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)OC)O)[N+]([O-])=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0058 |
| logD: | 1.9318 |
| logSw: | -3.4126 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.777 |
| InChI Key: | ISUJVUFRWOMWGG-UHFFFAOYSA-N |