3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,6-dimethylphenyl)benzamide
Chemical Structure Depiction of
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,6-dimethylphenyl)benzamide
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,6-dimethylphenyl)benzamide
Compound characteristics
| Compound ID: | Y500-2611 |
| Compound Name: | 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,6-dimethylphenyl)benzamide |
| Molecular Weight: | 429.27 |
| Molecular Formula: | C19 H17 Br N4 O3 |
| Smiles: | Cc1cccc(C)c1NC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3186 |
| logD: | 3.3179 |
| logSw: | -3.3351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.53 |
| InChI Key: | FHUNCJVGVKURKT-UHFFFAOYSA-N |