6-bromo-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-bromo-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0138 |
| Compound Name: | 6-bromo-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 387.16 |
| Molecular Formula: | C17 H8 Br F N2 O3 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Br])c1nc(c2ccc(cc2)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.5918 |
| logD: | 4.5918 |
| logSw: | -4.7647 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.566 |
| InChI Key: | XOMPTIPNOGWYDF-UHFFFAOYSA-N |