N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-3-nitrobenzamide
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-0570 |
| Compound Name: | N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 405.24 |
| Molecular Formula: | C18 H14 Cl2 N4 O3 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1cnn(Cc2c(cccc2[Cl])[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2261 |
| logD: | 4.0163 |
| logSw: | -4.5318 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.916 |
| InChI Key: | KMIBCYXUPMMRNZ-UHFFFAOYSA-N |