methyl 2-[3-(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-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[3-(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: | 4248-0042 |
| Compound Name: | methyl 2-[3-(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(CCN3C(c4ccccc4C3=O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4089 |
| logD: | 0.7457 |
| logSw: | -3.9402 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.508 |
| InChI Key: | YIMSOCJPIFRALI-GFCCVEGCSA-N |