8-methoxy-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
8-methoxy-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0146 |
| Compound Name: | 8-methoxy-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 321.29 |
| Molecular Formula: | C17 H11 N3 O4 |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1nc(c2ccncc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.5231 |
| logD: | 2.5231 |
| logSw: | -2.4706 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.309 |
| InChI Key: | YYFAPBZFPLMLRJ-UHFFFAOYSA-N |