4-{3-[4-(cyanomethoxy)phenyl]-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl}phenyl acetate
Chemical Structure Depiction of
4-{3-[4-(cyanomethoxy)phenyl]-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl}phenyl acetate
4-{3-[4-(cyanomethoxy)phenyl]-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl}phenyl acetate
Compound characteristics
| Compound ID: | 8017-6637 |
| Compound Name: | 4-{3-[4-(cyanomethoxy)phenyl]-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl}phenyl acetate |
| Molecular Weight: | 471.47 |
| Molecular Formula: | C26 H21 N3 O6 |
| Smiles: | CC(=O)Oc1ccc(cc1)N1C(C2C3CC(C2C1=O)C1C3C(c2ccc(cc2)OCC#N)=NO1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7345 |
| logD: | 1.7345 |
| logSw: | -2.1301 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.925 |
| InChI Key: | PNHQYAARBFXBNH-UHFFFAOYSA-N |