methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate
methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate
Compound characteristics
| Compound ID: | Y502-1201 |
| Compound Name: | methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}benzoate |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C21 H20 N4 O5 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2C(Nc2ccccc2C(=O)OC)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0983 |
| logD: | 2.4323 |
| logSw: | -3.5817 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.867 |
| InChI Key: | HLWQXXIBCIWUGU-UHFFFAOYSA-N |