4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-tert-butylbenzoate
Chemical Structure Depiction of
4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-tert-butylbenzoate
4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | Y070-0609 |
| Compound Name: | 4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 4-tert-butylbenzoate |
| Molecular Weight: | 481.63 |
| Molecular Formula: | C26 H27 N O4 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(=O)Oc1ccc(/C=C2/C(N(CC3CCCO3)C(=S)S2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7457 |
| logD: | 5.7457 |
| logSw: | -5.429 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 45.474 |
| InChI Key: | ZMLIYQRPASELQH-OAQYLSRUSA-N |