2-[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one--hydrogen bromide (1/1)
2-[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 2226-0486 |
| Compound Name: | 2-[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 443.74 |
| Molecular Formula: | C17 H15 Cl N2 O3 S |
| Salt: | HBr |
| Smiles: | COc1ccc(cc1OC)C(CSc1nc2cc(ccc2[nH]1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5198 |
| logD: | 3.5177 |
| logSw: | -4.0993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.488 |
| InChI Key: | ZENJKCCRVONJGA-UHFFFAOYSA-N |