4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide
Chemical Structure Depiction of
4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide
4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide
Compound characteristics
| Compound ID: | Y501-1147 |
| Compound Name: | 4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide |
| Molecular Weight: | 429.27 |
| Molecular Formula: | C19 H17 Br N4 O3 |
| Smiles: | Cc1ccc(cc1C)NC(c1ccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2443 |
| logD: | 4.2443 |
| logSw: | -4.2092 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.926 |
| InChI Key: | KDPDWIWTGCJCTM-UHFFFAOYSA-N |