N-(2H-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | Y500-1100 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | Cc1c(c(C)n(CC(Nc2ccc3c(c2)OCO3)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.533 |
| logD: | 1.5329 |
| logSw: | -2.4458 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.565 |
| InChI Key: | ZKBOLWPLWXUMBX-UHFFFAOYSA-N |