6-tert-butyl-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-8-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-tert-butyl-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-8-hydroxy-2H-1-benzopyran-2-one
6-tert-butyl-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-8-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C200-5464 |
| Compound Name: | 6-tert-butyl-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-8-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C23 H23 N3 O4 |
| Smiles: | CC(C)(C)c1cc2C=C(C(=O)Oc2c(c1)O)c1nc(c2ccc(cc2)N(C)C)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.4622 |
| logD: | 5.4336 |
| logSw: | -5.3051 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.603 |
| InChI Key: | FSDVGOLYMVNCJB-UHFFFAOYSA-N |