4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 5552-0034 |
| Compound Name: | 4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid |
| Molecular Weight: | 335.33 |
| Molecular Formula: | C15 H13 N O6 S |
| Smiles: | CCOC(CN1C(/C(=C/c2ccc(cc2)C(O)=O)SC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5382 |
| logD: | -1.0686 |
| logSw: | -2.6194 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.434 |
| InChI Key: | JNTCUITZVXIQTD-UHFFFAOYSA-N |