N-(2H-1,3-benzodioxol-5-yl)-3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamide
N-(2H-1,3-benzodioxol-5-yl)-3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamide
Compound characteristics
| Compound ID: | 3678-0257 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamide |
| Molecular Weight: | 502.56 |
| Molecular Formula: | C23 H22 N2 O7 S2 |
| Smiles: | COc1cc(/C=C2/C(N(CCC(Nc3ccc4c(c3)OCO4)=O)C(=S)S2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4335 |
| logD: | 3.4334 |
| logSw: | -3.8166 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.663 |
| InChI Key: | BSRDOFBBGZECRV-UHFFFAOYSA-N |