1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | 8013-8520 |
| Compound Name: | 1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 362.26 |
| Molecular Formula: | C13 H13 F3 N4 O5 |
| Smiles: | CC(N1CCN(CC1)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9491 |
| logD: | 2.9491 |
| logSw: | -3.5674 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.446 |
| InChI Key: | HZXNLLRBDYYHQS-UHFFFAOYSA-N |