methyl 6-(2-methylbutan-2-yl)-2-(3-phenylpropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-(2-methylbutan-2-yl)-2-(3-phenylpropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-(2-methylbutan-2-yl)-2-(3-phenylpropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0747 |
| Compound Name: | methyl 6-(2-methylbutan-2-yl)-2-(3-phenylpropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C24 H31 N O3 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OC)c(NC(CCc3ccccc3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5721 |
| logD: | 2.8402 |
| logSw: | -5.4925 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.005 |
| InChI Key: | UVSRDLFRZZCARW-QGZVFWFLSA-N |