methyl 3-{5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Chemical Structure Depiction of
methyl 3-{5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
methyl 3-{5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Compound characteristics
| Compound ID: | 3130-0979 |
| Compound Name: | methyl 3-{5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate |
| Molecular Weight: | 416.31 |
| Molecular Formula: | C15 H14 Br N O4 S2 |
| Smiles: | COC(CCN1C(/C(=C\c2ccc(c(c2)[Br])OC)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.002 |
| logD: | 3.002 |
| logSw: | -3.2976 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.902 |
| InChI Key: | KGTUVGLKTKPABZ-UHFFFAOYSA-N |