methyl 2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate
methyl 2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate
Compound characteristics
| Compound ID: | Y502-1219 |
| Compound Name: | methyl 2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C20 H18 N4 O5 |
| Smiles: | Cc1cc(nn1Cc1ccccc1C(Nc1ccccc1C(=O)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8392 |
| logD: | 2.1732 |
| logSw: | -3.5487 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.58 |
| InChI Key: | UTPCFHCOKLHOKL-UHFFFAOYSA-N |