N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}acetamide
Compound characteristics
| Compound ID: | 3453-0315 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}acetamide |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C22 H20 N2 O7 S2 |
| Smiles: | COc1cc(/C=C2/C(N(CC(Nc3ccc4c(c3)OCO4)=O)C(=S)S2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.397 |
| logD: | 3.397 |
| logSw: | -3.7831 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.685 |
| InChI Key: | XOMCURVAPDYIIB-UHFFFAOYSA-N |