2-{[1-(4-bromobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(2-chloro-4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[1-(4-bromobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(2-chloro-4-nitrophenyl)acetamide
2-{[1-(4-bromobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(2-chloro-4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | K781-1374 |
| Compound Name: | 2-{[1-(4-bromobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(2-chloro-4-nitrophenyl)acetamide |
| Molecular Weight: | 581.85 |
| Molecular Formula: | C21 H14 Br Cl N4 O5 S2 |
| Smiles: | C(C(Nc1ccc(cc1[Cl])[N+]([O-])=O)=O)Sc1nc2ccccc2n1S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6598 |
| logD: | 5.5641 |
| logSw: | -5.9863 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.697 |
| InChI Key: | HKGDBULFFVNXHP-UHFFFAOYSA-N |