4-[3-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | 8017-6629 |
| Compound Name: | 4-[3-(4-chlorophenyl)-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: | 450.88 |
| Molecular Formula: | C24 H19 Cl N2 O5 |
| Smiles: | CC(=O)Oc1ccc(cc1)N1C(C2C3CC(C2C1=O)C1C3C(c2ccc(cc2)[Cl])=NO1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9947 |
| logD: | 2.9947 |
| logSw: | -3.7413 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.015 |
| InChI Key: | GYWCBKGWZDIYAC-UHFFFAOYSA-N |