methyl 6-ethyl-2-[2-phenyl(phenylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-ethyl-2-[2-phenyl(phenylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-ethyl-2-[2-phenyl(phenylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3365-6520 |
| Compound Name: | methyl 6-ethyl-2-[2-phenyl(phenylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 465.63 |
| Molecular Formula: | C26 H27 N O3 S2 |
| Smiles: | CCC1CCc2c(C(=O)OC)c(NC(C(c3ccccc3)Sc3ccccc3)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0071 |
| logD: | 3.9524 |
| logSw: | -5.9559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.947 |
| InChI Key: | NQUCCCKTPIHCMA-UHFFFAOYSA-N |