3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[(4-methylphenyl)methoxy]benzamide
Chemical Structure Depiction of
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[(4-methylphenyl)methoxy]benzamide
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[(4-methylphenyl)methoxy]benzamide
Compound characteristics
| Compound ID: | Y500-4337 |
| Compound Name: | 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[(4-methylphenyl)methoxy]benzamide |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C19 H17 Br N4 O4 |
| Smiles: | Cc1ccc(CONC(c2cccc(Cn3cc(c(n3)[N+]([O-])=O)[Br])c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1561 |
| logD: | 2.678 |
| logSw: | -3.2465 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.056 |
| InChI Key: | AJYOXTDEETWSEP-UHFFFAOYSA-N |