methyl 2-[({5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}methyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[({5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}methyl)amino]benzoate
methyl 2-[({5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}methyl)amino]benzoate
Compound characteristics
| Compound ID: | 8009-2860 |
| Compound Name: | methyl 2-[({5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}methyl)amino]benzoate |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C20 H18 N2 O3 S2 |
| Smiles: | Cc1ccc(/C=C2/C(N(CNc3ccccc3C(=O)OC)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7139 |
| logD: | 4.7139 |
| logSw: | -4.5055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.078 |
| InChI Key: | HZWMMZFRUYPCRQ-UHFFFAOYSA-N |