ethyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanamido]-6-methyl-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)-3-methylbutanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2712-3574 |
| Compound Name: | ethyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C25 H28 N2 O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(C(C(C)C)N1C(c2ccccc2C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3278 |
| logD: | 2.8918 |
| logSw: | -5.3476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.284 |
| InChI Key: | LRHRSZDEJUTPFD-UHFFFAOYSA-N |