4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
Chemical Structure Depiction of
4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
Compound characteristics
| Compound ID: | Y501-6832 |
| Compound Name: | 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide |
| Molecular Weight: | 488.3 |
| Molecular Formula: | C20 H18 Br N5 O5 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(NNC(/C=C/c2ccc([N+]([O-])=O)o2)=O)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.5424 |
| logD: | 2.5361 |
| logSw: | -2.6936 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.334 |
| InChI Key: | DUAVRFKGNOQGKT-UHFFFAOYSA-N |