6-bromo-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-bromo-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C200-2524 |
| Compound Name: | 6-bromo-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 399.2 |
| Molecular Formula: | C18 H11 Br N2 O4 |
| Smiles: | COc1ccc(cc1)c1nc(C2=Cc3cc(ccc3OC2=O)[Br])on1 |
| Stereo: | ACHIRAL |
| logP: | 4.5451 |
| logD: | 4.5451 |
| logSw: | -4.5994 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.11 |
| InChI Key: | MJEJWZMEMPYPBM-UHFFFAOYSA-N |