1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(phenylmethanesulfonyl)piperazine
Chemical Structure Depiction of
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(phenylmethanesulfonyl)piperazine
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(phenylmethanesulfonyl)piperazine
Compound characteristics
| Compound ID: | 8013-4789 |
| Compound Name: | 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(phenylmethanesulfonyl)piperazine |
| Molecular Weight: | 474.41 |
| Molecular Formula: | C18 H17 F3 N4 O6 S |
| Smiles: | C1CN(CCN1c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.969 |
| logD: | 3.969 |
| logSw: | -4.3693 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.663 |
| InChI Key: | MSLQSLQSUYGNFS-UHFFFAOYSA-N |