3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0232 |
| Compound Name: | 3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C20 H16 N2 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(C2=Cc3ccccc3OC2=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.3058 |
| logD: | 3.3058 |
| logSw: | -3.7882 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.544 |
| InChI Key: | WIHDBBAWDISAIG-UHFFFAOYSA-N |