3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-1-benzopyran-2-one
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0014 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 364.31 |
| Molecular Formula: | C19 H12 N2 O6 |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2nc(c3ccc4c(c3)OCO4)no2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7486 |
| logD: | 3.7486 |
| logSw: | -4.2228 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.225 |
| InChI Key: | JUQVCPCTCQYFNH-UHFFFAOYSA-N |