2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]prop-2-enenitrile--hydrogen chloride (1/1)
2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-7748 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 445.7 |
| Molecular Formula: | C19 H13 Br N4 O2 |
| Salt: | HCl |
| Smiles: | COc1cc(/C=C(C#N)/c2nc3ccccc3[nH]2)cc(c1OCC#N)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6674 |
| logD: | 3.6665 |
| logSw: | -4.0671 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.027 |
| InChI Key: | TVBRGQDPIVQHDM-MDWZMJQESA-N |