3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-1-benzopyran-2-one
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0023 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 350.29 |
| Molecular Formula: | C18 H10 N2 O6 |
| Smiles: | C1Oc2ccc(cc2O1)c1nc(C2=Cc3cccc(c3OC2=O)O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.4529 |
| logD: | 3.1989 |
| logSw: | -3.4406 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.914 |
| InChI Key: | MUMVDUZPGPJNBC-UHFFFAOYSA-N |