3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-bromo-8-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-bromo-8-methoxy-2H-1-benzopyran-2-one
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-bromo-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0407 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-bromo-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 443.21 |
| Molecular Formula: | C19 H11 Br N2 O6 |
| Smiles: | COc1cc(cc2C=C(C(=O)Oc12)c1nc(c2ccc3c(c2)OCO3)no1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6387 |
| logD: | 4.6387 |
| logSw: | -4.6495 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.996 |
| InChI Key: | MAMGHZFNDGSDBT-UHFFFAOYSA-N |