2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-fluoro-3-nitrophenyl)benzamide
Chemical Structure Depiction of
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-fluoro-3-nitrophenyl)benzamide
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-fluoro-3-nitrophenyl)benzamide
Compound characteristics
| Compound ID: | Y502-2733 |
| Compound Name: | 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-fluoro-3-nitrophenyl)benzamide |
| Molecular Weight: | 413.36 |
| Molecular Formula: | C19 H16 F N5 O5 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2C(Nc2ccc(c(c2)[N+]([O-])=O)F)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.135 |
| logD: | 2.0278 |
| logSw: | -3.7504 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.472 |
| InChI Key: | IXQSBAOLJFHJIO-UHFFFAOYSA-N |