6-tert-butyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
Chemical Structure Depiction of
6-tert-butyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
6-tert-butyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
Compound characteristics
| Compound ID: | E594-0363 |
| Compound Name: | 6-tert-butyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate |
| Molecular Weight: | 448.47 |
| Molecular Formula: | C25 H24 N2 O6 |
| Smiles: | CCOc1ccc(cc1)c1nc(C2=Cc3cc(cc(c3OC2=O)OC(C)=O)C(C)(C)C)on1 |
| Stereo: | ACHIRAL |
| logP: | 6.0668 |
| logD: | 6.0668 |
| logSw: | -5.516 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.211 |
| InChI Key: | VWSZKFBWEGDWOZ-UHFFFAOYSA-N |