4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenyl acetate
Chemical Structure Depiction of
4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenyl acetate
4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | 8007-0100 |
| Compound Name: | 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenyl acetate |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C20 H17 N3 O3 |
| Smiles: | CCOc1cc(/C=C(C#N)/c2nc3ccccc3[nH]2)ccc1OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.31 |
| logD: | 3.3091 |
| logSw: | -3.641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.362 |
| InChI Key: | HZTBHYPHIGYLRT-UHFFFAOYSA-N |