1-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
1-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-one--hydrogen bromide (1/1)
1-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-one--hydrogen bromide (1/1)
Compound characteristics
Compound ID: | 2949-0012 |
Compound Name: | 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-one--hydrogen bromide (1/1) |
Molecular Weight: | 357.31 |
Molecular Formula: | C15 H20 N2 O S |
Salt: | HBr |
Smiles: | Cc1cc2c(cc1C)[nH]c(n2)SCC(C(C)(C)C)=O |
Stereo: | ACHIRAL |
logP: | 4.1813 |
logD: | 4.1806 |
logSw: | -4.2237 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 31.4984 |
InChI Key: | SFIISOWJHAYNEE-UHFFFAOYSA-N |