methyl 3-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Chemical Structure Depiction of
methyl 3-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
methyl 3-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Compound characteristics
| Compound ID: | 2140-0135 |
| Compound Name: | methyl 3-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate |
| Molecular Weight: | 297.31 |
| Molecular Formula: | C17 H15 N O4 |
| Smiles: | COC(c1cccc(c1)N1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6873 |
| logD: | 1.6873 |
| logSw: | -2.0177 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.898 |
| InChI Key: | PFOACYGMRWIPIR-MBFGLIKCSA-N |