ethyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2842-0034 |
| Compound Name: | ethyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CN1C(c2ccccc2C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3783 |
| logD: | 1.5806 |
| logSw: | -3.6855 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.109 |
| InChI Key: | DWOITXMKOLVEIK-UHFFFAOYSA-N |