3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0233 |
| Compound Name: | 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 350.33 |
| Molecular Formula: | C19 H14 N2 O5 |
| Smiles: | COc1ccc(cc1OC)c1nc(C2=Cc3ccccc3OC2=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.4458 |
| logD: | 3.4458 |
| logSw: | -3.8053 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.827 |
| InChI Key: | YLMMSRXGFFTAGJ-UHFFFAOYSA-N |