4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-chlorobenzoate
Chemical Structure Depiction of
4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-chlorobenzoate
4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | Y070-0614 |
| Compound Name: | 4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-chlorobenzoate |
| Molecular Weight: | 459.97 |
| Molecular Formula: | C22 H18 Cl N O4 S2 |
| Smiles: | C1CC(CN2C(/C(=C/c3ccc(cc3)OC(c3ccc(cc3)[Cl])=O)SC2=S)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5459 |
| logD: | 4.5459 |
| logSw: | -5.1178 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 45.474 |
| InChI Key: | KSCSVSNGVQMGLE-GOSISDBHSA-N |