1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(methanesulfonyl)piperazine
Chemical Structure Depiction of
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(methanesulfonyl)piperazine
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(methanesulfonyl)piperazine
Compound characteristics
| Compound ID: | 8012-6000 |
| Compound Name: | 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(methanesulfonyl)piperazine |
| Molecular Weight: | 398.31 |
| Molecular Formula: | C12 H13 F3 N4 O6 S |
| Smiles: | CS(N1CCN(CC1)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6847 |
| logD: | 2.6847 |
| logSw: | -3.3561 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.533 |
| InChI Key: | JRQQXOSKDPAGRG-UHFFFAOYSA-N |