4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 3-methylbenzoate
Chemical Structure Depiction of
4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 3-methylbenzoate
4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | Y070-0612 |
| Compound Name: | 4-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)phenyl 3-methylbenzoate |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C23 H21 N O4 S2 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(/C=C2/C(N(CC3CCCO3)C(=S)S2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2021 |
| logD: | 4.2021 |
| logSw: | -4.4305 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 45.474 |
| InChI Key: | YLGOBLMWDCUUGS-LJQANCHMSA-N |