N-[5-hydroxy-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-hydroxy-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-3-nitrobenzamide
N-[5-hydroxy-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8006-5188 |
| Compound Name: | N-[5-hydroxy-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-3-nitrobenzamide |
| Molecular Weight: | 427.63 |
| Molecular Formula: | C16 H9 Cl3 N4 O4 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(Nc1cc(n(c2c(cc(cc2[Cl])[Cl])[Cl])n1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5337 |
| logD: | 1.5304 |
| logSw: | -4.4769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.242 |
| InChI Key: | KVTAJVAUQWIWDV-UHFFFAOYSA-N |