1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}butan-1-one
1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | 3901-0285 |
| Compound Name: | 1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}butan-1-one |
| Molecular Weight: | 345.32 |
| Molecular Formula: | C15 H18 F3 N3 O3 |
| Smiles: | CCCC(N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2165 |
| logD: | 3.2165 |
| logSw: | -3.5902 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.671 |
| InChI Key: | OFHKSQQQHVVQST-UHFFFAOYSA-N |