4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]butanamide
Compound characteristics
| Compound ID: | C163-0332 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]butanamide |
| Molecular Weight: | 457.42 |
| Molecular Formula: | C21 H20 F N5 O6 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2cc(cc(c2)Oc2ccc(cc2)F)[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3243 |
| logD: | 3.3207 |
| logSw: | -3.8203 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.557 |
| InChI Key: | REONAWLRUKUCKW-UHFFFAOYSA-N |