methyl 6-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
Chemical Structure Depiction of
methyl 6-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
methyl 6-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
Compound characteristics
| Compound ID: | 3643-3104 |
| Compound Name: | methyl 6-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate |
| Molecular Weight: | 428.36 |
| Molecular Formula: | C17 H18 Br N O3 S2 |
| Smiles: | COC(CCCCCN1C(/C(=C\c2cccc(c2)[Br])SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4338 |
| logD: | 4.4338 |
| logSw: | -4.3347 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 37.271 |
| InChI Key: | PCNPYVOBEAMRQT-UHFFFAOYSA-N |