3-[5-(2-methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Chemical Structure Depiction of
3-[5-(2-methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
3-[5-(2-methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Compound characteristics
| Compound ID: | 3331-2396 |
| Compound Name: | 3-[5-(2-methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C16 H15 N O3 S2 |
| Smiles: | C/C(=C\c1ccccc1)\C=C1/C(N(CCC(O)=O)C(=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7628 |
| logD: | 0.2302 |
| logSw: | -2.8886 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.076 |
| InChI Key: | CVENVXMOOBHCIX-UHFFFAOYSA-N |