N-(2H-1,3-benzodioxol-5-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0139 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 332.31 |
| Molecular Formula: | C15 H16 N4 O5 |
| Smiles: | Cc1cc(nn1CCCC(Nc1ccc2c(c1)OCO2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0045 |
| logD: | 1.0043 |
| logSw: | -2.2185 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.256 |
| InChI Key: | ADBCVYAPBJDIAI-UHFFFAOYSA-N |