6-tert-butyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-8-yl acetate
Chemical Structure Depiction of
6-tert-butyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-8-yl acetate
6-tert-butyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-8-yl acetate
Compound characteristics
| Compound ID: | E594-0369 |
| Compound Name: | 6-tert-butyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-8-yl acetate |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C23 H20 N2 O5 |
| Smiles: | CC(=O)Oc1cc(cc2C=C(C(=O)Oc12)c1nc(c2ccccc2)no1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.5928 |
| logD: | 5.5928 |
| logSw: | -5.5868 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.088 |
| InChI Key: | YYAVPOLTWFLVRA-UHFFFAOYSA-N |