3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]benzamide
Chemical Structure Depiction of
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]benzamide
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | Y501-1172 |
| Compound Name: | 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]benzamide |
| Molecular Weight: | 447.31 |
| Molecular Formula: | C18 H15 Br N4 O3 S |
| Smiles: | CSc1ccccc1NC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5251 |
| logD: | 3.5246 |
| logSw: | -3.7114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.228 |
| InChI Key: | KYLJHFJSJHMZLR-UHFFFAOYSA-N |