methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8016-7282 |
| Compound Name: | methyl 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate |
| Molecular Weight: | 397.18 |
| Molecular Formula: | C14 H13 Br N4 O5 |
| Smiles: | Cc1c(c(nn1CC(Nc1ccccc1C(=O)OC)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.932 |
| logD: | 1.9051 |
| logSw: | -2.8599 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.883 |
| InChI Key: | RMRUVVXSIPGKBY-UHFFFAOYSA-N |