3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2H-1-benzopyran-2-one
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0100 |
| Compound Name: | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 338.75 |
| Molecular Formula: | C18 H11 Cl N2 O3 |
| Smiles: | Cc1ccc2c(C=C(C(=O)O2)c2nc(c3ccc(cc3)[Cl])no2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7735 |
| logD: | 4.7735 |
| logSw: | -4.998 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.566 |
| InChI Key: | WNXJHIMGNMSRHW-UHFFFAOYSA-N |