5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2027-0135 |
| Compound Name: | 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 438.29 |
| Molecular Formula: | C17 H9 Br F N O3 S2 |
| Smiles: | C1Oc2cc(/C=C3/C(N(C(=S)S3)c3cccc(c3)F)=O)c(cc2O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4599 |
| logD: | 4.4599 |
| logSw: | -4.4575 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 32.946 |
| InChI Key: | XPKJESXWDKLQBV-UHFFFAOYSA-N |