1-(3,4-dimethoxyphenyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one--hydrogen bromide (1/1)
1-(3,4-dimethoxyphenyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 2949-0020 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 423.33 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Salt: | HBr |
| Smiles: | Cc1ccc2c(c1)nc([nH]2)SCC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2998 |
| logD: | 3.2986 |
| logSw: | -3.5147 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.488 |
| InChI Key: | QKUKEZZXZPBLTP-UHFFFAOYSA-N |