2,2-dimethyl-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
Chemical Structure Depiction of
2,2-dimethyl-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
2,2-dimethyl-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | 8014-2957 |
| Compound Name: | 2,2-dimethyl-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one |
| Molecular Weight: | 359.35 |
| Molecular Formula: | C16 H20 F3 N3 O3 |
| Smiles: | CC(C)(C)C(N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.56 |
| logD: | 3.56 |
| logSw: | -3.919 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.198 |
| InChI Key: | ULALSYJWMJWPOH-UHFFFAOYSA-N |