ethyl 4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoate
ethyl 4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoate
Compound characteristics
| Compound ID: | 3643-0603 |
| Compound Name: | ethyl 4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C23 H20 N2 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3496 |
| logD: | 4.3492 |
| logSw: | -4.2506 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.439 |
| InChI Key: | JLMDPUGJVGWRKQ-UHFFFAOYSA-N |