5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 1588-0099 |
| Compound Name: | 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 372.26 |
| Molecular Formula: | C13 H10 Br N O3 S2 |
| Smiles: | CCN1C(/C(=C\c2cc3c(cc2[Br])OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5455 |
| logD: | 3.5455 |
| logSw: | -3.7285 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 33.554 |
| InChI Key: | PBBNLZHFCUAHHX-UHFFFAOYSA-N |