methyl 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate
methyl 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | E594-0266 |
| Compound Name: | methyl 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 408.37 |
| Molecular Formula: | C21 H16 N2 O7 |
| Smiles: | COC(c1ccc2c(C=C(C(=O)O2)c2nc(c3cccc(c3OC)OC)no2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5846 |
| logD: | 3.5846 |
| logSw: | -3.8345 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.087 |
| InChI Key: | HAERMDGTWLZJPJ-UHFFFAOYSA-N |