2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}acetamide
Compound characteristics
| Compound ID: | Y508-0365 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}acetamide |
| Molecular Weight: | 477.23 |
| Molecular Formula: | C17 H13 Br N6 O6 |
| Smiles: | Cc1c(c(nn1CC(Nc1cc(cc(c1)Oc1cccnc1)[N+]([O-])=O)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.811 |
| logD: | 2.8097 |
| logSw: | -3.0195 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.054 |
| InChI Key: | WWKMIWQNONFYMN-UHFFFAOYSA-N |