6-tert-butyl-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
Chemical Structure Depiction of
6-tert-butyl-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
6-tert-butyl-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
Compound characteristics
| Compound ID: | E594-0367 |
| Compound Name: | 6-tert-butyl-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate |
| Molecular Weight: | 464.47 |
| Molecular Formula: | C25 H24 N2 O7 |
| Smiles: | CC(=O)Oc1cc(cc2C=C(C(=O)Oc12)c1nc(c2ccc(c(c2)OC)OC)no1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.3203 |
| logD: | 5.3203 |
| logSw: | -5.5036 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.349 |
| InChI Key: | AMDBKABFKXWYRZ-UHFFFAOYSA-N |