N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-7802 |
| Compound Name: | N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 507.89 |
| Molecular Formula: | C24 H18 Cl N5 O6 |
| Smiles: | Cc1cc(ccc1[Cl])Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cccc(Cn2cc(cn2)[N+]([O-])=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.676 |
| logD: | 5.5977 |
| logSw: | -6.0223 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.346 |
| InChI Key: | FZPFRUGQCNCBFU-UHFFFAOYSA-N |