N-[(3,4-dimethoxyphenyl)methyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8017-8824 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 348.36 |
| Molecular Formula: | C16 H20 N4 O5 |
| Smiles: | COc1ccc(CNC(CCCn2cc(cn2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.4041 |
| logD: | 0.4041 |
| logSw: | -2.0747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.836 |
| InChI Key: | QEGAMMQARSAOKW-UHFFFAOYSA-N |