3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0251 |
| Compound Name: | 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C20 H16 N2 O6 |
| Smiles: | COc1ccc2C=C(C(=O)Oc2c1)c1nc(c2ccc(c(c2)OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.5497 |
| logD: | 3.5497 |
| logSw: | -3.8045 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.37 |
| InChI Key: | HERKAECTBQHQTP-UHFFFAOYSA-N |