4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-{[(1-phenylethylidene)amino]oxy}phenyl)butanamide
Chemical Structure Depiction of
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-{[(1-phenylethylidene)amino]oxy}phenyl)butanamide
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-{[(1-phenylethylidene)amino]oxy}phenyl)butanamide
Compound characteristics
| Compound ID: | C163-0226 |
| Compound Name: | 4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-{[(1-phenylethylidene)amino]oxy}phenyl)butanamide |
| Molecular Weight: | 466.45 |
| Molecular Formula: | C22 H22 N6 O6 |
| Smiles: | C/C(c1ccccc1)=N/Oc1cc(cc(c1)[N+]([O-])=O)NC(CCCn1c(C)cc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9126 |
| logD: | 2.8976 |
| logSw: | -3.4836 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.201 |
| InChI Key: | DSGODBZWPCWHIN-UHFFFAOYSA-N |