4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-nitrobenzoate
4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | Y070-0615 |
| Compound Name: | 4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-nitrobenzoate |
| Molecular Weight: | 470.52 |
| Molecular Formula: | C22 H18 N2 O6 S2 |
| Smiles: | C1CC(CN2C(/C(=C/c3ccc(cc3)OC(c3ccc(cc3)[N+]([O-])=O)=O)SC2=S)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8769 |
| logD: | 3.8769 |
| logSw: | -4.1667 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 78.856 |
| InChI Key: | AKKVZQZFQOPPER-GOSISDBHSA-N |