N-(4-acetylphenyl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(4-acetylphenyl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-1122 |
| Compound Name: | N-(4-acetylphenyl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 443.25 |
| Molecular Formula: | C19 H15 Br N4 O4 |
| Smiles: | CC(c1ccc(cc1)NC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8134 |
| logD: | 2.7855 |
| logSw: | -3.2926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.753 |
| InChI Key: | HBHDALUUANOHGY-UHFFFAOYSA-N |