4-{4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzoxadiazole
Chemical Structure Depiction of
4-{4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzoxadiazole
4-{4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzoxadiazole
Compound characteristics
| Compound ID: | K666-0111 |
| Compound Name: | 4-{4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzoxadiazole |
| Molecular Weight: | 457.39 |
| Molecular Formula: | C17 H14 F3 N5 O5 S |
| Smiles: | C1CN(CCN1c1ccc(cc1C(F)(F)F)[N+]([O-])=O)S(c1cccc2c1non2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8754 |
| logD: | 3.8754 |
| logSw: | -4.1873 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 104.38 |
| InChI Key: | FEAMLTDGHFLPLR-UHFFFAOYSA-N |