3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,5-dimethoxyphenyl)benzamide
Chemical Structure Depiction of
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,5-dimethoxyphenyl)benzamide
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,5-dimethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | Y508-3898 |
| Compound Name: | 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,5-dimethoxyphenyl)benzamide |
| Molecular Weight: | 461.27 |
| Molecular Formula: | C19 H17 Br N4 O5 |
| Smiles: | COc1ccc(c(c1)NC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1529 |
| logD: | 3.0952 |
| logSw: | -3.4364 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.402 |
| InChI Key: | KFCQTKGBVSPXER-UHFFFAOYSA-N |