4-[(1H-benzimidazol-2-yl)sulfanyl]-7-(4-methylpiperazine-1-sulfonyl)-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-[(1H-benzimidazol-2-yl)sulfanyl]-7-(4-methylpiperazine-1-sulfonyl)-2,1,3-benzothiadiazole
4-[(1H-benzimidazol-2-yl)sulfanyl]-7-(4-methylpiperazine-1-sulfonyl)-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | D036-1738 |
| Compound Name: | 4-[(1H-benzimidazol-2-yl)sulfanyl]-7-(4-methylpiperazine-1-sulfonyl)-2,1,3-benzothiadiazole |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C18 H18 N6 O2 S3 |
| Smiles: | CN1CCN(CC1)S(c1ccc(c2c1nsn2)Sc1nc2ccccc2[nH]1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6351 |
| logD: | 2.5704 |
| logSw: | -2.9946 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.891 |
| InChI Key: | XNNCFDKSQXXZQH-UHFFFAOYSA-N |