2-{5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-2-nitroanilino}ethan-1-ol
Chemical Structure Depiction of
2-{5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-2-nitroanilino}ethan-1-ol
2-{5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-2-nitroanilino}ethan-1-ol
Compound characteristics
| Compound ID: | K893-0786 |
| Compound Name: | 2-{5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-2-nitroanilino}ethan-1-ol |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C18 H20 N6 O5 S2 |
| Smiles: | C(CO)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1439 |
| logD: | 2.1439 |
| logSw: | -2.6299 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.548 |
| InChI Key: | YXCOFQDXARCLSK-UHFFFAOYSA-N |