4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-{[(1-phenylethylidene)amino]oxy}phenyl)butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-{[(1-phenylethylidene)amino]oxy}phenyl)butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-{[(1-phenylethylidene)amino]oxy}phenyl)butanamide
Compound characteristics
| Compound ID: | C163-0339 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-{[(1-phenylethylidene)amino]oxy}phenyl)butanamide |
| Molecular Weight: | 480.48 |
| Molecular Formula: | C23 H24 N6 O6 |
| Smiles: | C/C(c1ccccc1)=N/Oc1cc(cc(c1)[N+]([O-])=O)NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1717 |
| logD: | 3.1567 |
| logSw: | -3.5609 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.489 |
| InChI Key: | QHHKFRMYZVLRMC-UHFFFAOYSA-N |