4-({3-[(4-methylbenzene-1-sulfonyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoic acid
Chemical Structure Depiction of
4-({3-[(4-methylbenzene-1-sulfonyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoic acid
4-({3-[(4-methylbenzene-1-sulfonyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoic acid
Compound characteristics
| Compound ID: | 3331-2369 |
| Compound Name: | 4-({3-[(4-methylbenzene-1-sulfonyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoic acid |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C18 H14 N2 O5 S3 |
| Smiles: | Cc1ccc(cc1)S(NN1C(/C(=C/c2ccc(cc2)C(O)=O)SC1=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4082 |
| logD: | -0.1986 |
| logSw: | -3.6921 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.938 |
| InChI Key: | XRDAJMXNFRPPNK-UHFFFAOYSA-N |