methyl 2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-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]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5486-0039 |
| Compound Name: | methyl 2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | [H]N(C(CCN1C(c2ccccc2C1=O)=O)=O)c1c(C(=O)OC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.975 |
| logD: | 0.3118 |
| logSw: | -3.5544 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.508 |
| InChI Key: | ZSABIDSTVQHYKK-UHFFFAOYSA-N |