4-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzamide
Chemical Structure Depiction of
4-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzamide
4-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzamide
Compound characteristics
| Compound ID: | 8016-8452 |
| Compound Name: | 4-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzamide |
| Molecular Weight: | 382.17 |
| Molecular Formula: | C13 H12 Br N5 O4 |
| Smiles: | Cc1c(c(nn1CC(Nc1ccc(cc1)C(N)=O)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.8533 |
| logD: | 0.8527 |
| logSw: | -2.268 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.466 |
| InChI Key: | ZQKJSULRTLWGEI-UHFFFAOYSA-N |