5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Chemical Structure Depiction of
5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Compound characteristics
| Compound ID: | 4449-1633 |
| Compound Name: | 5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione |
| Molecular Weight: | 317.32 |
| Molecular Formula: | C15 H11 N O5 S |
| Smiles: | COc1cc(\C=C2/C(N(CC#C)C(=O)S2)=O)cc2c1OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.968 |
| logD: | 2.968 |
| logSw: | -3.2587 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.276 |
| InChI Key: | DGKKQLLFVXMXJI-UHFFFAOYSA-N |