3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0085 |
| Compound Name: | 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 304.3 |
| Molecular Formula: | C18 H12 N2 O3 |
| Smiles: | Cc1ccc(cc1)c1nc(C2=Cc3ccccc3OC2=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.2468 |
| logD: | 4.2468 |
| logSw: | -4.5434 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.566 |
| InChI Key: | IUYYAIYFKXGKKS-UHFFFAOYSA-N |