ethyl 2-(but-2-enamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(but-2-enamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(but-2-enamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V007-1936 |
| Compound Name: | ethyl 2-(but-2-enamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 363.52 |
| Molecular Formula: | C20 H29 N O3 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OCC)c(NC(/C=C/C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0376 |
| logD: | 1.3122 |
| logSw: | -4.6892 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.856 |
| InChI Key: | RHXBRJSZOGEEPV-CYBMUJFWSA-N |