4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]piperazine-1-carboxamide
4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | C097-0159 |
| Compound Name: | 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]piperazine-1-carboxamide |
| Molecular Weight: | 506.36 |
| Molecular Formula: | C20 H16 F6 N4 O5 |
| Smiles: | C1CN(CCN1C(NC1(C(F)(F)F)Oc2ccccc2O1)=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.4712 |
| logD: | 4.2261 |
| logSw: | -4.5175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.839 |
| InChI Key: | VTGFEOYYMSQYIE-UHFFFAOYSA-N |