ethyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate
ethyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 8001-7447 |
| Compound Name: | ethyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate |
| Molecular Weight: | 325.36 |
| Molecular Formula: | C19 H19 N O4 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C2C3CCC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5706 |
| logD: | 2.5706 |
| logSw: | -2.6088 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.746 |
| InChI Key: | ZGRKVGLUUAHRTJ-UHFFFAOYSA-N |