3-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)imino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)imino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
3-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)imino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3277-0152 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)imino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one |
| Molecular Weight: | 490.49 |
| Molecular Formula: | C25 H18 N2 O7 S |
| Smiles: | COc1cc(/C=C2/C(N(/C(=N/c3ccc4c(c3)OCO4)S2)c2ccc3c(c2)OCO3)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.3767 |
| logD: | 4.3718 |
| logSw: | -4.0091 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.662 |
| InChI Key: | CYMOLRFTHUYPGB-UHFFFAOYSA-N |