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 |