3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-1-benzopyran-8-yl acetate
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-1-benzopyran-8-yl acetate
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-1-benzopyran-8-yl acetate
Compound characteristics
| Compound ID: | E594-0353 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-2H-1-benzopyran-8-yl acetate |
| Molecular Weight: | 448.43 |
| Molecular Formula: | C24 H20 N2 O7 |
| Smiles: | CC(=O)Oc1cc(cc2C=C(C(=O)Oc12)c1nc(c2ccc3c(c2)OCO3)no1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.6185 |
| logD: | 5.6185 |
| logSw: | -5.5278 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.203 |
| InChI Key: | GXFYYWNXKGTCFC-UHFFFAOYSA-N |