N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,4-dinitrobenzamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | 0685-0189 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,4-dinitrobenzamide |
| Molecular Weight: | 397.35 |
| Molecular Formula: | C18 H15 N5 O6 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3908 |
| logD: | -1.7492 |
| logSw: | -2.3782 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.173 |
| InChI Key: | UNSDTUHWPHBKMO-UHFFFAOYSA-N |