ethyl 2-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Chemical Structure Depiction of
ethyl 2-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
ethyl 2-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Compound characteristics
| Compound ID: | 2360-0232 |
| Compound Name: | ethyl 2-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C21 H21 N O4 |
| Smiles: | CCOC(c1ccccc1N1C(C2C3C=CC(C2C1=O)C3=C(C)C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8191 |
| logD: | 2.8191 |
| logSw: | -3.2991 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.177 |
| InChI Key: | AYHJCTZAMLNUTF-UHFFFAOYSA-N |