dimethyl 5-({2-[1-(ethoxycarbonyl)piperidin-4-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-({2-[1-(ethoxycarbonyl)piperidin-4-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzene-1,3-dicarboxylate
dimethyl 5-({2-[1-(ethoxycarbonyl)piperidin-4-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C429-0089 |
| Compound Name: | dimethyl 5-({2-[1-(ethoxycarbonyl)piperidin-4-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzene-1,3-dicarboxylate |
| Molecular Weight: | 537.53 |
| Molecular Formula: | C27 H27 N3 O9 |
| Smiles: | CCOC(N1CCC(CC1)N1C(c2ccc(cc2C1=O)C(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3628 |
| logD: | 4.3523 |
| logSw: | -4.3751 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.932 |
| InChI Key: | YVGOHIHZLFLZGK-UHFFFAOYSA-N |