4-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole
4-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | K666-0034 |
| Compound Name: | 4-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole |
| Molecular Weight: | 473.45 |
| Molecular Formula: | C17 H14 F3 N5 O4 S2 |
| Smiles: | C1CN(CCN1c1ccc(cc1[N+]([O-])=O)C(F)(F)F)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6958 |
| logD: | 3.6958 |
| logSw: | -4.2783 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.942 |
| InChI Key: | HHBFGWWGNOVBMS-UHFFFAOYSA-N |