2-[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethan-1-one--hydrogen bromide (1/1)
2-[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 2949-0015 |
| Compound Name: | 2-[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 511.91 |
| Molecular Formula: | C23 H27 Cl N2 O2 S |
| Salt: | HBr |
| Smiles: | CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(CSc1nc2cc(ccc2[nH]1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.294 |
| logD: | 6.2866 |
| logSw: | -5.8185 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.706 |
| InChI Key: | NRTAPBHXRZXOMO-UHFFFAOYSA-N |