2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | Y500-0433 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 427.25 |
| Molecular Formula: | C16 H19 Br N4 O5 |
| Smiles: | Cc1c(c(nn1CC(NCCc1ccc(c(c1)OC)OC)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.077 |
| logD: | 1.077 |
| logSw: | -2.4379 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.832 |
| InChI Key: | ZSCYTFHITASAHD-UHFFFAOYSA-N |