ethyl 2-(3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3678-0269 |
| Compound Name: | ethyl 2-(3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 590.74 |
| Molecular Formula: | C27 H30 N2 O7 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCN1C(/C(=C/c2cc(c(c(c2)OC)OC)OC)SC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6923 |
| logD: | 2.029 |
| logSw: | -4.4251 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.017 |
| InChI Key: | NIBRJHYYBCBZBF-UHFFFAOYSA-N |