methyl 2-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzoate
Chemical Structure Depiction of
methyl 2-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzoate
methyl 2-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzoate
Compound characteristics
| Compound ID: | 4490-1932 |
| Compound Name: | methyl 2-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzoate |
| Molecular Weight: | 399.44 |
| Molecular Formula: | C19 H13 N O5 S2 |
| Smiles: | COC(c1ccccc1N1C(/C(=C\c2ccc3c(c2)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8912 |
| logD: | 3.8912 |
| logSw: | -4.1182 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 53.819 |
| InChI Key: | LOVBHJROPUEUIZ-UHFFFAOYSA-N |