N-(2H-1,3-benzodioxol-5-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8016-1070 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | C(CC(Nc1ccc2c(c1)OCO2)=O)Cn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.922 |
| logD: | 0.9218 |
| logSw: | -2.2282 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.369 |
| InChI Key: | ZMMHMLCYBSEJFK-UHFFFAOYSA-N |