4-[4-(2-chloro-6-nitrophenyl)piperazine-1-sulfonyl]-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-[4-(2-chloro-6-nitrophenyl)piperazine-1-sulfonyl]-2,1,3-benzothiadiazole
4-[4-(2-chloro-6-nitrophenyl)piperazine-1-sulfonyl]-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | K666-0037 |
| Compound Name: | 4-[4-(2-chloro-6-nitrophenyl)piperazine-1-sulfonyl]-2,1,3-benzothiadiazole |
| Molecular Weight: | 439.9 |
| Molecular Formula: | C16 H14 Cl N5 O4 S2 |
| Smiles: | C1CN(CCN1c1c(cccc1[Cl])[N+]([O-])=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4309 |
| logD: | 3.4309 |
| logSw: | -3.7036 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.641 |
| InChI Key: | BUIYJZPRRNGMFN-UHFFFAOYSA-N |