4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[(4-methylphenyl)methoxy]benzamide
Chemical Structure Depiction of
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[(4-methylphenyl)methoxy]benzamide
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[(4-methylphenyl)methoxy]benzamide
Compound characteristics
| Compound ID: | Y502-4488 |
| Compound Name: | 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[(4-methylphenyl)methoxy]benzamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C21 H22 N4 O4 |
| Smiles: | Cc1ccc(CONC(c2ccc(Cn3c(C)c(c(C)n3)[N+]([O-])=O)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7939 |
| logD: | 2.5553 |
| logSw: | -3.2122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.521 |
| InChI Key: | JXJCTUBOTKWNAG-UHFFFAOYSA-N |