N-(2H-1,3-benzodioxol-5-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 1762-0285 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 304.26 |
| Molecular Formula: | C13 H12 N4 O5 |
| Smiles: | Cc1cc(nn1CC(Nc1ccc2c(c1)OCO2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2739 |
| logD: | 1.2738 |
| logSw: | -2.4195 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.277 |
| InChI Key: | SPFMTSKZHGGCEV-UHFFFAOYSA-N |