N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8017-5616 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 332.31 |
| Molecular Formula: | C15 H16 N4 O5 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)Cn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7023 |
| logD: | 0.7023 |
| logSw: | -2.1016 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.691 |
| InChI Key: | CEAHXGHGRRKOQL-UHFFFAOYSA-N |