5-nitro-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-1H-indole-2,3-dione
Chemical Structure Depiction of
5-nitro-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-1H-indole-2,3-dione
5-nitro-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-1H-indole-2,3-dione
Compound characteristics
| Compound ID: | K028-0026 |
| Compound Name: | 5-nitro-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-1H-indole-2,3-dione |
| Molecular Weight: | 434.37 |
| Molecular Formula: | C20 H17 F3 N4 O4 |
| Smiles: | C1CN(CCN1CN1C(C(c2cc(ccc12)[N+]([O-])=O)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.2607 |
| logD: | 3.2554 |
| logSw: | -3.7352 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.922 |
| InChI Key: | WFLHHPWAPCQXKE-UHFFFAOYSA-N |