3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0097 |
| Compound Name: | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 324.72 |
| Molecular Formula: | C17 H9 Cl N2 O3 |
| Smiles: | C1=C(C(=O)Oc2ccccc12)c1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 4.4181 |
| logD: | 4.4181 |
| logSw: | -4.9606 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.566 |
| InChI Key: | VVJWPKLEGJSIJG-UHFFFAOYSA-N |