ethyl 2-(5-ethoxy-5-oxopentanamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(5-ethoxy-5-oxopentanamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(5-ethoxy-5-oxopentanamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V003-0432 |
| Compound Name: | ethyl 2-(5-ethoxy-5-oxopentanamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 437.6 |
| Molecular Formula: | C23 H35 N O5 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OCC)c(NC(CCCC(=O)OCC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4731 |
| logD: | 2.1493 |
| logSw: | -4.3402 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.015 |
| InChI Key: | BCTYSSUWBMYIOU-OAHLLOKOSA-N |