N-(3-methoxy-5-nitrophenyl)-2-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(3-methoxy-5-nitrophenyl)-2-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(3-methoxy-5-nitrophenyl)-2-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y502-7279 |
| Compound Name: | N-(3-methoxy-5-nitrophenyl)-2-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 397.35 |
| Molecular Formula: | C18 H15 N5 O6 |
| Smiles: | COc1cc(cc(c1)[N+]([O-])=O)NC(c1ccccc1Cn1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1003 |
| logD: | 2.6542 |
| logSw: | -3.568 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.142 |
| InChI Key: | REPUVSDAFJJNIN-UHFFFAOYSA-N |