4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide
Chemical Structure Depiction of
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C163-0220 |
| Compound Name: | 4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide |
| Molecular Weight: | 425.4 |
| Molecular Formula: | C20 H19 N5 O6 |
| Smiles: | Cc1cc(nn1CCCC(Nc1cc(cc(c1)Oc1ccccc1)[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0076 |
| logD: | 3.004 |
| logSw: | -3.5129 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.269 |
| InChI Key: | ZGAYZRIYLMXROT-UHFFFAOYSA-N |