ethyl 6-(2-methylbutan-2-yl)-2-[3-(methylsulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-(2-methylbutan-2-yl)-2-[3-(methylsulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-(2-methylbutan-2-yl)-2-[3-(methylsulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V006-0236 |
| Compound Name: | ethyl 6-(2-methylbutan-2-yl)-2-[3-(methylsulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 397.6 |
| Molecular Formula: | C20 H31 N O3 S2 |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OCC)c(NC(CCSC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7141 |
| logD: | 2.5849 |
| logSw: | -4.448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.856 |
| InChI Key: | GBXZOOWUQHROAW-CYBMUJFWSA-N |