methyl 5,6-dicyano-3-(4-methylbenzoyl)-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
methyl 5,6-dicyano-3-(4-methylbenzoyl)-1-benzofuran-2-carboxylate
methyl 5,6-dicyano-3-(4-methylbenzoyl)-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | 8020-4117 |
| Compound Name: | methyl 5,6-dicyano-3-(4-methylbenzoyl)-1-benzofuran-2-carboxylate |
| Molecular Weight: | 344.32 |
| Molecular Formula: | C20 H12 N2 O4 |
| Smiles: | Cc1ccc(cc1)C(c1c2cc(C#N)c(C#N)cc2oc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9355 |
| logD: | 3.9355 |
| logSw: | -4.253 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.518 |
| InChI Key: | VIGPFDPYRANYIN-UHFFFAOYSA-N |