6-bromo-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-bromo-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0066 |
| Compound Name: | 6-bromo-3-[3-(2-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(c2ccccc2F)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.2692 |
| logD: | 4.2692 |
| logSw: | -4.6528 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.566 |
| InChI Key: | WHNKMJFQQKDRIX-UHFFFAOYSA-N |