4-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate
4-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate
Compound characteristics
| Compound ID: | 4340-0625 |
| Compound Name: | 4-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate |
| Molecular Weight: | 554.06 |
| Molecular Formula: | C26 H16 Cl N O5 S3 |
| Smiles: | C(CN1C(/C(=C\c2ccccc2)SC1=S)=O)C(=O)Oc1ccc2c(c1c1ccc(cc1)[Cl])SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.9154 |
| logD: | 5.9154 |
| logSw: | -6.4406 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 58.362 |
| InChI Key: | GAKVJQRDTYXTBU-UHFFFAOYSA-N |