3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8004-7962 |
| Compound Name: | 3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 449.26 |
| Molecular Formula: | C21 H13 Br N4 O3 |
| Smiles: | Cc1ccc2c(c1)[nH]c(/C(=C/c1ccc(c3ccc(cc3[Br])[N+]([O-])=O)o1)C#N)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.1088 |
| logD: | 6.1075 |
| logSw: | -5.6339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.266 |
| InChI Key: | JSNUXNVLJVRRKB-UHFFFAOYSA-N |