3-[2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1(2H)-yl]propane-1-sulfonic acid
Chemical Structure Depiction of
3-[2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1(2H)-yl]propane-1-sulfonic acid
3-[2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1(2H)-yl]propane-1-sulfonic acid
Compound characteristics
| Compound ID: | 4311-1806 |
| Compound Name: | 3-[2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1(2H)-yl]propane-1-sulfonic acid |
| Molecular Weight: | 497.7 |
| Molecular Formula: | C16 H16 N2 O4 S3 |
| Salt: | (C2H5)3N |
| Smiles: | CN1C(/C(=C2/C=Cc3ccccc3N2CCCS(O)(=O)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8647 |
| logD: | -8.5616 |
| logSw: | -2.0319 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.558 |
| InChI Key: | WHVDUENHHFVPAH-UHFFFAOYSA-N |