6-chloro-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-chloro-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0223 |
| Compound Name: | 6-chloro-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 414.8 |
| Molecular Formula: | C20 H15 Cl N2 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(C2=Cc3cc(ccc3OC2=O)[Cl])on1 |
| Stereo: | ACHIRAL |
| logP: | 3.9176 |
| logD: | 3.9176 |
| logSw: | -4.5011 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.544 |
| InChI Key: | TYKYMGJCWXFTTB-UHFFFAOYSA-N |