4-({2-ethoxy-4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-ethoxy-4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2-ethoxy-4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 5552-0122 |
| Compound Name: | 4-({2-ethoxy-4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C21 H19 N O6 S |
| Smiles: | CCOc1cc(/C=C2/C(N(C)C(=O)S2)=O)ccc1OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5675 |
| logD: | 0.596 |
| logSw: | -3.7209 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.565 |
| InChI Key: | UEYSKGSJQJDIIS-UHFFFAOYSA-N |