3-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
3-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-8687 |
| Compound Name: | 3-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 434.88 |
| Molecular Formula: | C23 H18 N4 O3 |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)nc(/C(=C/c1ccc(c3ccc(c(C)c3C)[N+]([O-])=O)o1)C#N)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 5.8674 |
| logD: | 5.8671 |
| logSw: | -5.597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.965 |
| InChI Key: | YAUHQMIDMSQFAN-LFIBNONCSA-N |