N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0328 |
| Compound Name: | N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 475.41 |
| Molecular Formula: | C21 H19 F2 N5 O6 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2cc(cc(c2)Oc2ccc(cc2F)F)[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1705 |
| logD: | 3.1669 |
| logSw: | -3.5821 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.644 |
| InChI Key: | SSKSUVSDLMLMAG-UHFFFAOYSA-N |