3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0021 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 364.31 |
| Molecular Formula: | C19 H12 N2 O6 |
| Smiles: | COc1ccc2C=C(C(=O)Oc2c1)c1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.8479 |
| logD: | 3.8479 |
| logSw: | -4.2648 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.225 |
| InChI Key: | KFRBBTRQCNWKSJ-UHFFFAOYSA-N |