2-(2-{5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-(2-{5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(2-{5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 1988-1613 |
| Compound Name: | 2-(2-{5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C21 H18 Cl N3 O4 S2 |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(CN1C(/C(=C/c3ccccc3[Cl])SC1=O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.2052 |
| logD: | 3.0469 |
| logSw: | -3.8849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.519 |
| InChI Key: | TXPFZVWPQRLDNI-UHFFFAOYSA-N |