5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-N-benzyl-2-nitroaniline
Chemical Structure Depiction of
5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-N-benzyl-2-nitroaniline
5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-N-benzyl-2-nitroaniline
Compound characteristics
Compound ID: | K893-0785 |
Compound Name: | 5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-N-benzyl-2-nitroaniline |
Molecular Weight: | 510.59 |
Molecular Formula: | C23 H22 N6 O4 S2 |
Smiles: | C(c1ccccc1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0706 |
logD: | 4.0706 |
logSw: | -4.3189 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 98.78 |
InChI Key: | ISOJJZFQZWMQDL-UHFFFAOYSA-N |