4-(5-{[3-(carboxymethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Chemical Structure Depiction of
4-(5-{[3-(carboxymethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
4-(5-{[3-(carboxymethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Compound characteristics
| Compound ID: | 4759-7735 |
| Compound Name: | 4-(5-{[3-(carboxymethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid |
| Molecular Weight: | 387.37 |
| Molecular Formula: | C18 H13 N O7 S |
| Smiles: | Cc1cc(ccc1c1ccc(/C=C2/C(N(CC(O)=O)C(=O)S2)=O)o1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5621 |
| logD: | -1.1629 |
| logSw: | -2.7487 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.229 |
| InChI Key: | SQOVUKBKSSNHAT-UHFFFAOYSA-N |