4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl 2-chloro-4,5-difluorobenzoate
Chemical Structure Depiction of
4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl 2-chloro-4,5-difluorobenzoate
4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl 2-chloro-4,5-difluorobenzoate
Compound characteristics
| Compound ID: | 8011-9947 |
| Compound Name: | 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl 2-chloro-4,5-difluorobenzoate |
| Molecular Weight: | 435.82 |
| Molecular Formula: | C23 H12 Cl F2 N3 O2 |
| Smiles: | C(=C(C#N)/c1nc2ccccc2[nH]1)\c1ccc(cc1)OC(c1cc(c(cc1[Cl])F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8495 |
| logD: | 5.8486 |
| logSw: | -6.2726 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.692 |
| InChI Key: | SBFJXFYRXUPGQI-UHFFFAOYSA-N |