[4-(2-fluorophenyl)piperazin-1-yl]{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methanone
Chemical Structure Depiction of
[4-(2-fluorophenyl)piperazin-1-yl]{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methanone
[4-(2-fluorophenyl)piperazin-1-yl]{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methanone
Compound characteristics
| Compound ID: | 8014-6594 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl]{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methanone |
| Molecular Weight: | 519.45 |
| Molecular Formula: | C25 H21 F4 N3 O5 |
| Smiles: | COc1cc(ccc1Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7904 |
| logD: | 4.7904 |
| logSw: | -4.8241 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.478 |
| InChI Key: | BEBKTVCPQBNOAK-UHFFFAOYSA-N |