[4-(5,7-dioxo-6-phenyl-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl)phenoxy]acetonitrile
Chemical Structure Depiction of
[4-(5,7-dioxo-6-phenyl-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl)phenoxy]acetonitrile
[4-(5,7-dioxo-6-phenyl-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl)phenoxy]acetonitrile
Compound characteristics
| Compound ID: | 8017-6610 |
| Compound Name: | [4-(5,7-dioxo-6-phenyl-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl)phenoxy]acetonitrile |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C24 H19 N3 O4 |
| Smiles: | C1C2C3C(C1C1C2C(N(C1=O)c1ccccc1)=O)ON=C3c1ccc(cc1)OCC#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1337 |
| logD: | 2.1337 |
| logSw: | -2.4643 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.174 |
| InChI Key: | OBVYLNOOHNFOAS-UHFFFAOYSA-N |