dimethyl 5-{[2-(2-methoxyethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carbonyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[2-(2-methoxyethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carbonyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[2-(2-methoxyethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carbonyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C447-0794 |
| Compound Name: | dimethyl 5-{[2-(2-methoxyethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carbonyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 426.42 |
| Molecular Formula: | C22 H22 N2 O7 |
| Smiles: | COCCN1Cc2cccc(C(Nc3cc(cc(c3)C(=O)OC)C(=O)OC)=O)c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7721 |
| logD: | 2.771 |
| logSw: | -3.3751 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.916 |
| InChI Key: | PGGXHNBHZVVUPF-UHFFFAOYSA-N |