2-(2-{5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-(2-{5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(2-{5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 1988-1622 |
| Compound Name: | 2-(2-{5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 526.48 |
| Molecular Formula: | C21 H17 Cl2 N3 O3 S3 |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(CN1C(/C(=C/c3ccc(cc3[Cl])[Cl])SC1=S)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.2051 |
| logD: | 3.9932 |
| logSw: | -4.7332 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.366 |
| InChI Key: | BADPNZLHXOXERH-UHFFFAOYSA-N |