dimethyl 5-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}amino)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}amino)benzene-1,3-dicarboxylate
dimethyl 5-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}amino)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C447-0162 |
| Compound Name: | dimethyl 5-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}amino)benzene-1,3-dicarboxylate |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C25 H21 N3 O6 |
| Smiles: | COC(c1cc(cc(c1)NC(c1cccc2CN(Cc3cccnc3)C(c12)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8862 |
| logD: | 2.8851 |
| logSw: | -3.3175 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.842 |
| InChI Key: | AGGWJBYCDNEBDR-UHFFFAOYSA-N |