ethyl 6-(2-methylbutan-2-yl)-2-(3-methylbut-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-(2-methylbutan-2-yl)-2-(3-methylbut-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-(2-methylbutan-2-yl)-2-(3-methylbut-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V007-1926 |
| Compound Name: | ethyl 6-(2-methylbutan-2-yl)-2-(3-methylbut-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 377.55 |
| Molecular Formula: | C21 H31 N O3 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OCC)c(NC(C=C(C)C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3461 |
| logD: | 1.0823 |
| logSw: | -5.2536 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.856 |
| InChI Key: | NOGFZINUYLNZEF-CQSZACIVSA-N |