butyl 5-{5-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-chlorobenzoate
Chemical Structure Depiction of
butyl 5-{5-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-chlorobenzoate
butyl 5-{5-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-chlorobenzoate
Compound characteristics
| Compound ID: | 2082-0523 |
| Compound Name: | butyl 5-{5-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-chlorobenzoate |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C25 H20 Cl N3 O3 |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])c1ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9279 |
| logD: | 6.9273 |
| logSw: | -6.3362 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.932 |
| InChI Key: | PGQBFXHJKXJJHE-UHFFFAOYSA-N |