4-[(4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
4-[(4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 5552-0015 |
| Compound Name: | 4-[(4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C22 H19 N O7 S |
| Smiles: | CCOC(CN1C(/C(=C\c2ccc(cc2)OCc2ccc(cc2)C(O)=O)SC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9525 |
| logD: | 0.981 |
| logSw: | -3.9045 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.661 |
| InChI Key: | JOFRUBMSFYQXGO-UHFFFAOYSA-N |