4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethoxyphenyl)butanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethoxyphenyl)butanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C226-4294 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethoxyphenyl)butanamide |
| Molecular Weight: | 427.25 |
| Molecular Formula: | C16 H19 Br N4 O5 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1ccc(c(c1)OC)OC)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.4729 |
| logD: | 1.4727 |
| logSw: | -2.2988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.646 |
| InChI Key: | XZFOOEOUHCIXCP-UHFFFAOYSA-N |