4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C226-4305 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide |
| Molecular Weight: | 457.28 |
| Molecular Formula: | C17 H21 Br N4 O6 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1cc(c(c(c1)OC)OC)OC)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.3186 |
| logD: | 1.3167 |
| logSw: | -2.3291 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.364 |
| InChI Key: | QZPXPMIDYBBHHX-UHFFFAOYSA-N |