dimethyl 5-[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamido]benzene-1,3-dicarboxylate
dimethyl 5-[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K978-0273 |
| Compound Name: | dimethyl 5-[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 426.42 |
| Molecular Formula: | C22 H22 N2 O7 |
| Smiles: | COC(c1cc(cc(c1)NC(CCN1C(C2C3CC(C=C3)C2C1=O)=O)=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9732 |
| logD: | 1.9731 |
| logSw: | -2.5906 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.812 |
| InChI Key: | IZXQPDXMERYSRZ-UHFFFAOYSA-N |