3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0226 |
| Compound Name: | 3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C19 H15 N3 O3 |
| Smiles: | CN(C)c1ccc(cc1)c1nc(C2=Cc3ccccc3OC2=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.9134 |
| logD: | 3.9134 |
| logSw: | -4.2859 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.371 |
| InChI Key: | RLKPQQUAKDDIHY-UHFFFAOYSA-N |