5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 1588-0132 |
| Compound Name: | 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 450.33 |
| Molecular Formula: | C18 H12 Br N O4 S2 |
| Smiles: | COc1ccc(cc1)N1C(/C(=C\c2cc3c(cc2[Br])OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3668 |
| logD: | 4.3668 |
| logSw: | -4.4583 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 40.49 |
| InChI Key: | AIZRLNJNQYYVSQ-UHFFFAOYSA-N |