3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-1-benzopyran-2-one
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0098 |
| Compound Name: | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 354.75 |
| Molecular Formula: | C18 H11 Cl N2 O4 |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2nc(c3ccc(cc3)[Cl])no2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4227 |
| logD: | 4.4227 |
| logSw: | -4.8338 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.11 |
| InChI Key: | ZXFTVRFXQBZWHY-UHFFFAOYSA-N |