N'-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide
Chemical Structure Depiction of
N'-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide
N'-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide
Compound characteristics
| Compound ID: | Y500-6610 |
| Compound Name: | N'-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide |
| Molecular Weight: | 486.28 |
| Molecular Formula: | C20 H16 Br N5 O5 |
| Smiles: | Cc1cc(nn1Cc1cccc(c1)C(N/N=C/c1cc2c(cc1[Br])OCO2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2645 |
| logD: | 3.1622 |
| logSw: | -3.4541 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.444 |
| InChI Key: | NOBUUYWHNQWXHC-UHFFFAOYSA-N |