6-tert-butyl-8-hydroxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-tert-butyl-8-hydroxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-tert-butyl-8-hydroxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C200-4968 |
| Compound Name: | 6-tert-butyl-8-hydroxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 376.41 |
| Molecular Formula: | C22 H20 N2 O4 |
| Smiles: | Cc1ccccc1c1nc(C2=Cc3cc(cc(c3OC2=O)O)C(C)(C)C)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.3901 |
| logD: | 5.3615 |
| logSw: | -5.1556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.798 |
| InChI Key: | VGSVLFWVYGWYNC-UHFFFAOYSA-N |