2-(1H-benzimidazol-2-yl)-3-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 8007-0097 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]prop-2-enenitrile |
| Molecular Weight: | 384.39 |
| Molecular Formula: | C22 H16 N4 O3 |
| Smiles: | Cc1cc(c(C)cc1c1ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5967 |
| logD: | 5.5961 |
| logSw: | -5.5877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.965 |
| InChI Key: | YQOSITWTPPNUHR-UHFFFAOYSA-N |