4-[2-methyl-4-(4-nitrophenyl)piperazine-1-sulfonyl]-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-[2-methyl-4-(4-nitrophenyl)piperazine-1-sulfonyl]-2,1,3-benzothiadiazole
4-[2-methyl-4-(4-nitrophenyl)piperazine-1-sulfonyl]-2,1,3-benzothiadiazole
Compound characteristics
Compound ID: | K666-0040 |
Compound Name: | 4-[2-methyl-4-(4-nitrophenyl)piperazine-1-sulfonyl]-2,1,3-benzothiadiazole |
Molecular Weight: | 419.48 |
Molecular Formula: | C17 H17 N5 O4 S2 |
Smiles: | CC1CN(CCN1S(c1cccc2c1nsn2)(=O)=O)c1ccc(cc1)[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3183 |
logD: | 3.3183 |
logSw: | -3.6532 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 89.539 |
InChI Key: | XEGRFBZPMZEXLF-LBPRGKRZSA-N |