methyl 4-{[3-(2-methylbenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(2-methylbenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate
methyl 4-{[3-(2-methylbenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 2798-0554 |
| Compound Name: | methyl 4-{[3-(2-methylbenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate |
| Molecular Weight: | 412.48 |
| Molecular Formula: | C20 H16 N2 O4 S2 |
| Smiles: | Cc1ccccc1C(NN1C(/C(=C/c2ccc(cc2)C(=O)OC)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3395 |
| logD: | 3.2582 |
| logSw: | -3.682 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.017 |
| InChI Key: | GGLFSFUINCXRAT-UHFFFAOYSA-N |