ethyl 2-(3-methylbut-2-enamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-methylbut-2-enamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3-methylbut-2-enamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V006-6703 |
| Compound Name: | ethyl 2-(3-methylbut-2-enamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 349.49 |
| Molecular Formula: | C19 H27 N O3 S |
| Smiles: | CCCC1CCc2c(C(=O)OCC)c(NC(C=C(C)C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2932 |
| logD: | 1.0294 |
| logSw: | -5.3469 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.856 |
| InChI Key: | KRAXWXYRWNMGBX-CYBMUJFWSA-N |