1-(4-bromobenzene-1-sulfonyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine
Chemical Structure Depiction of
1-(4-bromobenzene-1-sulfonyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine
1-(4-bromobenzene-1-sulfonyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine
Compound characteristics
| Compound ID: | 8013-4805 |
| Compound Name: | 1-(4-bromobenzene-1-sulfonyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine |
| Molecular Weight: | 539.28 |
| Molecular Formula: | C17 H14 Br F3 N4 O6 S |
| Smiles: | C1CN(CCN1c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2035 |
| logD: | 5.2035 |
| logSw: | -5.6914 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.769 |
| InChI Key: | PMWVRJJGYBNDHU-UHFFFAOYSA-N |