2-(4-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-(4-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(4-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 3931-3179 |
| Compound Name: | 2-(4-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 513.7 |
| Molecular Formula: | C25 H27 N3 O3 S3 |
| Smiles: | CCc1ccc(\C=C2/C(N(CCCC(Nc3c(C(N)=O)c4CCCCc4s3)=O)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4754 |
| logD: | 3.0311 |
| logSw: | -4.0749 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.344 |
| InChI Key: | BSAPMKAUEDCBOM-UHFFFAOYSA-N |