dimethyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
dimethyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Compound characteristics
| Compound ID: | 4789-0930 |
| Compound Name: | dimethyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate |
| Molecular Weight: | 456.47 |
| Molecular Formula: | C22 H20 N2 O7 S |
| Smiles: | CC(C(Nc1c(C(=O)OC)c2C(CCc2s1)C(=O)OC)=O)N1C(c2ccccc2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7179 |
| logD: | 1.1571 |
| logSw: | -3.4093 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.624 |
| InChI Key: | XUKAVEFSIAYOKL-UHFFFAOYSA-N |