2-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
2-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2476-0034 |
| Compound Name: | 2-[(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/c2ccccc2C(O)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1699 |
| logD: | 0.4584 |
| logSw: | -4.2541 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.85 |
| InChI Key: | CRHQFJBLIPEBLK-UHFFFAOYSA-N |