N-[3-(4-acetamidophenoxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[3-(4-acetamidophenoxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-[3-(4-acetamidophenoxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0330 |
| Compound Name: | N-[3-(4-acetamidophenoxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 496.48 |
| Molecular Formula: | C23 H24 N6 O7 |
| Smiles: | CC(Nc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4964 |
| logD: | 2.4928 |
| logSw: | -2.9934 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 133.819 |
| InChI Key: | PQQSEJWLWLLFJB-UHFFFAOYSA-N |