3-(2-bromo-4,5-dimethoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(2-bromo-4,5-dimethoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
3-(2-bromo-4,5-dimethoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8008-3350 |
| Compound Name: | 3-(2-bromo-4,5-dimethoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 434.72 |
| Molecular Formula: | C19 H16 Br N3 O2 |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)nc(/C(=C/c1cc(c(cc1[Br])OC)OC)C#N)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.0606 |
| logD: | 4.0602 |
| logSw: | -4.2211 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.575 |
| InChI Key: | CVWJDSZZWRQJJL-NTUHNPAUSA-N |