ethyl 2-(4-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3931-3178 |
| Compound Name: | ethyl 2-(4-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 542.74 |
| Molecular Formula: | C27 H30 N2 O4 S3 |
| Smiles: | CCc1ccc(\C=C2/C(N(CCCC(Nc3c(C(=O)OCC)c4CCCCc4s3)=O)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6207 |
| logD: | 3.2969 |
| logSw: | -5.4296 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.039 |
| InChI Key: | JAZQMIADHIRDPM-UHFFFAOYSA-N |