2-(1H-benzimidazol-2-yl)-3-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]prop-2-enenitrile--hydrogen chloride (1/1)
2-(1H-benzimidazol-2-yl)-3-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-7742 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 420.85 |
| Molecular Formula: | C22 H16 N4 O3 |
| Salt: | HCl |
| Smiles: | Cc1c(ccc(c1C)[N+]([O-])=O)c1ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.4078 |
| logD: | 5.4072 |
| logSw: | -5.6149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.965 |
| InChI Key: | OJXJBQATLMYHMV-RVDMUPIBSA-N |