methyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
methyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8016-5284 |
| Compound Name: | methyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]benzoate |
| Molecular Weight: | 304.26 |
| Molecular Formula: | C13 H12 N4 O5 |
| Smiles: | COC(c1ccccc1NC(Cn1ccc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0722 |
| logD: | 1.0541 |
| logSw: | -2.4529 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.098 |
| InChI Key: | QLKGESWLEQCVSR-UHFFFAOYSA-N |