4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-{4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl}propanoate
Chemical Structure Depiction of
4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-{4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl}propanoate
4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-{4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl}propanoate
Compound characteristics
| Compound ID: | 4340-0569 |
| Compound Name: | 4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-{4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl}propanoate |
| Molecular Weight: | 555.67 |
| Molecular Formula: | C25 H17 N O6 S4 |
| Smiles: | COc1ccc(cc1)c1c(ccc2c1SC(=O)O2)OC(CCN1C(/C(=C/c2cccs2)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9798 |
| logD: | 4.9798 |
| logSw: | -4.6861 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 66.925 |
| InChI Key: | CXMHFVXIIMOPJY-UHFFFAOYSA-N |