6-bromo-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
6-bromo-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0208 |
| Compound Name: | 6-bromo-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 412.24 |
| Molecular Formula: | C19 H14 Br N3 O3 |
| Smiles: | CN(C)c1ccc(cc1)c1nc(C2=Cc3cc(ccc3OC2=O)[Br])on1 |
| Stereo: | ACHIRAL |
| logP: | 4.6527 |
| logD: | 4.6527 |
| logSw: | -4.7256 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.371 |
| InChI Key: | HBBSSIMRPWAIPP-UHFFFAOYSA-N |