N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-nitrobenzamide
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y509-3454 |
| Compound Name: | N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-nitrobenzamide |
| Molecular Weight: | 391.21 |
| Molecular Formula: | C17 H12 Cl2 N4 O3 |
| Smiles: | C(c1c(cccc1[Cl])[Cl])n1cc(cn1)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.674 |
| logD: | 3.0033 |
| logSw: | -4.1698 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.916 |
| InChI Key: | PUJUZFBFSZCKSG-UHFFFAOYSA-N |