5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3229-0821 |
| Compound Name: | 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 358.23 |
| Molecular Formula: | C12 H8 Br N O3 S2 |
| Smiles: | CN1C(/C(=C\c2cc3c(cc2[Br])OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.912 |
| logD: | 2.912 |
| logSw: | -3.2454 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 33.595 |
| InChI Key: | PYZRGCOSRQHBQY-UHFFFAOYSA-N |