8-hydroxy-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-hydroxy-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
8-hydroxy-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0095 |
| Compound Name: | 8-hydroxy-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 320.3 |
| Molecular Formula: | C18 H12 N2 O4 |
| Smiles: | Cc1ccc(cc1)c1nc(C2=Cc3cccc(c3OC2=O)O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.9556 |
| logD: | 3.7016 |
| logSw: | -3.6783 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.798 |
| InChI Key: | HGUPMCDAQCZVKG-UHFFFAOYSA-N |