N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8017-5617 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C17 H22 N4 O5 |
| Smiles: | COc1ccc(CCNC(CCCn2cc(cn2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.081 |
| logD: | 0.081 |
| logSw: | -1.982 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.678 |
| InChI Key: | WOODQDDSAGXOIZ-UHFFFAOYSA-N |