N-(4-acetylphenyl)-3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamide
N-(4-acetylphenyl)-3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamide
Compound characteristics
| Compound ID: | 3643-0599 |
| Compound Name: | N-(4-acetylphenyl)-3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamide |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C22 H18 N2 O5 S2 |
| Smiles: | CC(c1ccc(cc1)NC(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2903 |
| logD: | 3.2894 |
| logSw: | -3.5573 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.512 |
| InChI Key: | LNKBSEOSLMYTQO-UHFFFAOYSA-N |