6-bromo-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-bromo-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0213 |
| Compound Name: | 6-bromo-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 429.22 |
| Molecular Formula: | C19 H13 Br N2 O5 |
| Smiles: | COc1ccc(c(c1)OC)c1nc(C2=Cc3cc(ccc3OC2=O)[Br])on1 |
| Stereo: | ACHIRAL |
| logP: | 4.2959 |
| logD: | 4.2959 |
| logSw: | -4.5954 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.74 |
| InChI Key: | QIFSHFDBTMDHID-UHFFFAOYSA-N |