ethyl 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]benzoate
Chemical Structure Depiction of
ethyl 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]benzoate
ethyl 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]benzoate
Compound characteristics
| Compound ID: | 8017-6620 |
| Compound Name: | ethyl 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]benzoate |
| Molecular Weight: | 464.9 |
| Molecular Formula: | C25 H21 Cl N2 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C2C3CC(C2C1=O)C1C3C(c2ccc(cc2)[Cl])=NO1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1168 |
| logD: | 4.1168 |
| logSw: | -4.4642 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.018 |
| InChI Key: | XQYBPCQHQHENLL-UHFFFAOYSA-N |