methyl 5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-3-propoxy-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-3-propoxy-1-benzothiophene-2-carboxylate
methyl 5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-3-propoxy-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L312-0208 |
| Compound Name: | methyl 5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-3-propoxy-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 452.48 |
| Molecular Formula: | C23 H20 N2 O6 S |
| Smiles: | CCCOc1c2cc(ccc2sc1C(=O)OC)NC(CN1C(c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0735 |
| logD: | 4.0735 |
| logSw: | -4.1076 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.152 |
| InChI Key: | DKZKHIHRXYPBAX-UHFFFAOYSA-N |