N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | Y501-5878 |
| Compound Name: | N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 411.37 |
| Molecular Formula: | C19 H17 N5 O6 |
| Smiles: | Cc1cc(C)cc(c1)Oc1cc(cc(c1)[N+]([O-])=O)NC(Cn1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1894 |
| logD: | 4.1885 |
| logSw: | -4.3159 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.404 |
| InChI Key: | BVVYKYLKPZLQEU-UHFFFAOYSA-N |