methyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Chemical Structure Depiction of
methyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
methyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 2054-0648 |
| Compound Name: | methyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | COC(c1cccc(c1)N1C(C2C3CCC(C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7248 |
| logD: | 1.7248 |
| logSw: | -2.0285 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.898 |
| InChI Key: | TUSPVKAVSQSYAD-UHFFFAOYSA-N |