6-bromo-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-bromo-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0114 |
| Compound Name: | 6-bromo-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 383.2 |
| Molecular Formula: | C18 H11 Br N2 O3 |
| Smiles: | Cc1ccccc1c1nc(C2=Cc3cc(ccc3OC2=O)[Br])on1 |
| Stereo: | ACHIRAL |
| logP: | 4.5806 |
| logD: | 4.5806 |
| logSw: | -4.6345 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.566 |
| InChI Key: | MXQSJLICDGNPOB-UHFFFAOYSA-N |