6-chloro-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-chloro-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0091 |
| Compound Name: | 6-chloro-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 338.75 |
| Molecular Formula: | C18 H11 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1)c1nc(C2=Cc3cc(ccc3OC2=O)[Cl])on1 |
| Stereo: | ACHIRAL |
| logP: | 4.8586 |
| logD: | 4.8586 |
| logSw: | -4.9794 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.566 |
| InChI Key: | KMQQAVFUJKFNBX-UHFFFAOYSA-N |