4-[2-(3-bromo-4-methylphenyl)hydrazinylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[2-(3-bromo-4-methylphenyl)hydrazinylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-[2-(3-bromo-4-methylphenyl)hydrazinylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 1697-1542 |
| Compound Name: | 4-[2-(3-bromo-4-methylphenyl)hydrazinylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 416.23 |
| Molecular Formula: | C17 H14 Br N5 O3 |
| Smiles: | CC1\C(C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O)=N/Nc1ccc(C)c(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6185 |
| logD: | 4.6183 |
| logSw: | -4.4381 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.943 |
| InChI Key: | KLJRSSUSEUBRQG-UHFFFAOYSA-N |