4-{4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-{4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole
4-{4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | K666-0035 |
| Compound Name: | 4-{4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole |
| Molecular Weight: | 473.45 |
| Molecular Formula: | C17 H14 F3 N5 O4 S2 |
| Smiles: | C1CN(CCN1c1ccc(cc1C(F)(F)F)[N+]([O-])=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8516 |
| logD: | 3.8516 |
| logSw: | -4.1924 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.243 |
| InChI Key: | LXKIVZOPBNBHTD-UHFFFAOYSA-N |