3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitrophenyl)benzamide
Chemical Structure Depiction of
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitrophenyl)benzamide
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitrophenyl)benzamide
Compound characteristics
| Compound ID: | Y501-1171 |
| Compound Name: | 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitrophenyl)benzamide |
| Molecular Weight: | 460.24 |
| Molecular Formula: | C18 H14 Br N5 O5 |
| Smiles: | Cc1cc(ccc1NC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4453 |
| logD: | 3.1922 |
| logSw: | -3.5269 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.61 |
| InChI Key: | LRPWOQCGBAOYNR-UHFFFAOYSA-N |