4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Chemical Structure Depiction of
4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 3229-0684 |
| Compound Name: | 4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C18 H13 N O3 S2 |
| Smiles: | C(c1ccccc1)N1C(/C(=C\c2ccc(cc2)C(O)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2572 |
| logD: | 0.6504 |
| logSw: | -4.341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.85 |
| InChI Key: | LAVHHMWKUVBWIF-UHFFFAOYSA-N |