N-(2,5-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(2,5-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y502-2730 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C21 H22 N4 O5 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2C(Nc2cc(ccc2OC)OC)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0571 |
| logD: | 3.008 |
| logSw: | -3.7102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.868 |
| InChI Key: | PZINQSJJGRUBLR-UHFFFAOYSA-N |