ethyl 2-(2-{5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1988-1555 |
| Compound Name: | ethyl 2-(2-{5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 555.52 |
| Molecular Formula: | C23 H20 Cl2 N2 O4 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CN1C(/C(=C/c2c(cccc2[Cl])[Cl])SC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4365 |
| logD: | 3.5614 |
| logSw: | -6.1141 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.06 |
| InChI Key: | XTWBZFWYMIVKEQ-UHFFFAOYSA-N |