4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl 2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl 2-oxo-2H-1-benzopyran-3-carboxylate
4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl 2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 2712-4671 |
| Compound Name: | 4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl 2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 457.87 |
| Molecular Formula: | C26 H16 Cl N O5 |
| Smiles: | COc1cc(/C=C(C#N)/c2ccc(cc2)[Cl])ccc1OC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4492 |
| logD: | 5.4492 |
| logSw: | -6.2498 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.04 |
| InChI Key: | DHVDFWCWCWIGJF-UHFFFAOYSA-N |