1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
Chemical Structure Depiction of
1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
Compound characteristics
| Compound ID: | 8017-4473 |
| Compound Name: | 1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine |
| Molecular Weight: | 488.26 |
| Molecular Formula: | C19 H17 Br F3 N3 O4 |
| Smiles: | C1CN(CCN1Cc1cc2c(cc1[Br])OCO2)c1ccc(cc1C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.833 |
| logD: | 3.896 |
| logSw: | -4.8643 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.427 |
| InChI Key: | UZIJEKNBGYUENR-UHFFFAOYSA-N |