methyl 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate
methyl 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | E594-0123 |
| Compound Name: | methyl 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 378.34 |
| Molecular Formula: | C20 H14 N2 O6 |
| Smiles: | COC(c1ccc2c(C=C(C(=O)O2)c2nc(c3ccc(cc3)OC)no2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0072 |
| logD: | 4.0072 |
| logSw: | -4.3696 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.284 |
| InChI Key: | VGFJQXPFEGGYOY-UHFFFAOYSA-N |