3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide
Chemical Structure Depiction of
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide
Compound characteristics
| Compound ID: | Y501-1115 |
| Compound Name: | 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C19 H17 Br N4 O4 |
| Smiles: | Cc1cc(ccc1NC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.499 |
| logD: | 3.4981 |
| logSw: | -3.6597 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.772 |
| InChI Key: | ITVZWZILHJQQLY-UHFFFAOYSA-N |