2-(4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]acetamide
Chemical Structure Depiction of
2-(4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]acetamide
2-(4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | Y501-6058 |
| Compound Name: | 2-(4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]acetamide |
| Molecular Weight: | 425.4 |
| Molecular Formula: | C20 H19 N5 O6 |
| Smiles: | Cc1cc(C)c(C)c(c1)Oc1cc(cc(c1)[N+]([O-])=O)NC(Cn1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5985 |
| logD: | 4.5976 |
| logSw: | -4.3938 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.491 |
| InChI Key: | NMMLOWKGDXLGOX-UHFFFAOYSA-N |