5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Chemical Structure Depiction of
5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Compound characteristics
| Compound ID: | 4449-2669 |
| Compound Name: | 5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione |
| Molecular Weight: | 321.74 |
| Molecular Formula: | C14 H8 Cl N O4 S |
| Smiles: | C#CCN1C(/C(=C\c2cc3c(cc2[Cl])OCO3)SC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.541 |
| logD: | 3.541 |
| logSw: | -3.8032 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.961 |
| InChI Key: | KLCRMJWYJRTRHN-UHFFFAOYSA-N |