4-[(3,5-dinitroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(3,5-dinitroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[(3,5-dinitroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8005-3173 |
| Compound Name: | 4-[(3,5-dinitroanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 367.32 |
| Molecular Formula: | C17 H13 N5 O5 |
| Smiles: | CC1/C(=C/Nc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0889 |
| logD: | 2.3724 |
| logSw: | -3.4931 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.951 |
| InChI Key: | BDDPTXUJAHRQKM-UHFFFAOYSA-N |