N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8017-5601 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 304.26 |
| Molecular Formula: | C13 H12 N4 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(Cn1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0328 |
| logD: | 1.0328 |
| logSw: | -2.4063 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.713 |
| InChI Key: | LHSQVBUCVXGYBA-UHFFFAOYSA-N |