methyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4491-0659 |
| Compound Name: | methyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(C(C)N3C(c4ccccc4C3=O)=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9415 |
| logD: | 1.8946 |
| logSw: | -4.3714 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.084 |
| InChI Key: | LQBUHRAWRQNFBN-UHFFFAOYSA-N |