ethyl 3-[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 3-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
ethyl 3-[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: | 3970-1117 |
| Compound Name: | ethyl 3-[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(c1cccc(c1)N1C(C2C3C=CC(C2C1=O)C3=C(C)C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8222 |
| logD: | 2.8222 |
| logSw: | -3.0631 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.478 |
| InChI Key: | MJHFXWYITFVTBE-UHFFFAOYSA-N |