2-(1H-benzimidazol-2-yl)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile--hydrogen chloride (1/1)
2-(1H-benzimidazol-2-yl)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3448-3404 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 420.69 |
| Molecular Formula: | C18 H14 Br N3 O2 |
| Salt: | HCl |
| Smiles: | COc1cc(/C=C(C#N)/c2nc3ccccc3[nH]2)c(cc1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6009 |
| logD: | 3.6 |
| logSw: | -3.8049 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.575 |
| InChI Key: | VSPUDNQWWZFRCP-KPKJPENVSA-N |