2-(4-chlorophenyl)-2-oxoethyl 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]propanoate
Chemical Structure Depiction of
2-(4-chlorophenyl)-2-oxoethyl 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]propanoate
2-(4-chlorophenyl)-2-oxoethyl 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]propanoate
Compound characteristics
| Compound ID: | 2054-0747 |
| Compound Name: | 2-(4-chlorophenyl)-2-oxoethyl 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]propanoate |
| Molecular Weight: | 387.82 |
| Molecular Formula: | C20 H18 Cl N O5 |
| Smiles: | CC(C(=O)OCC(c1ccc(cc1)[Cl])=O)N1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9316 |
| logD: | 1.9316 |
| logSw: | -2.8126 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.053 |
| InChI Key: | REOHPCOGXJDYSW-UHFFFAOYSA-N |