2-(3-nitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-nitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione
2-(3-nitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0175 |
| Compound Name: | 2-(3-nitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 502.49 |
| Molecular Formula: | C25 H25 F3 N4 O4 |
| Smiles: | C1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.25 |
| logD: | 4.25 |
| logSw: | -4.4644 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.564 |
| InChI Key: | NKMDEWCHZGWJPA-UHFFFAOYSA-N |