3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methyl-2H-1-benzopyran-2-one
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0016 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 348.31 |
| Molecular Formula: | C19 H12 N2 O5 |
| Smiles: | Cc1ccc2c(C=C(C(=O)O2)c2nc(c3ccc4c(c3)OCO4)no2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0994 |
| logD: | 4.0994 |
| logSw: | -4.4108 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.681 |
| InChI Key: | GDFSTFMCNGBWMB-UHFFFAOYSA-N |