6-tert-butyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
Chemical Structure Depiction of
6-tert-butyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
6-tert-butyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate
Compound characteristics
| Compound ID: | E594-0357 |
| Compound Name: | 6-tert-butyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-8-yl acetate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C24 H22 N2 O5 |
| Smiles: | CC(=O)Oc1cc(cc2C=C(C(=O)Oc12)c1nc(c2ccc(C)cc2)no1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.1212 |
| logD: | 6.1212 |
| logSw: | -5.5221 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.088 |
| InChI Key: | VMSFWSYJOXNJPZ-UHFFFAOYSA-N |