8-ethoxy-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-ethoxy-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
8-ethoxy-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0092 |
| Compound Name: | 8-ethoxy-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 348.36 |
| Molecular Formula: | C20 H16 N2 O4 |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)c1nc(c2ccc(C)cc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.7131 |
| logD: | 4.7131 |
| logSw: | -4.5457 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.46 |
| InChI Key: | NLVXXQBUBNGTBO-UHFFFAOYSA-N |