4-[(2-hydroxy-3,5-dinitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(2-hydroxy-3,5-dinitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
4-[(2-hydroxy-3,5-dinitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-3363 |
| Compound Name: | 4-[(2-hydroxy-3,5-dinitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 397.35 |
| Molecular Formula: | C18 H15 N5 O6 |
| Smiles: | CC1\C(=C/Nc2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O)C(N(c2ccccc2C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3531 |
| logD: | 0.738 |
| logSw: | -3.6028 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.13 |
| InChI Key: | ULQMPVRCDTUQSL-UHFFFAOYSA-N |