4-[(2-{[2,4-dioxo-3-(propan-2-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2-{[2,4-dioxo-3-(propan-2-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
4-[(2-{[2,4-dioxo-3-(propan-2-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 5553-0454 |
| Compound Name: | 4-[(2-{[2,4-dioxo-3-(propan-2-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | CC(C)N1C(/C(=C\c2ccccc2OCc2ccc(cc2)C(O)=O)SC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0487 |
| logD: | 2.0772 |
| logSw: | -4.723 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.31 |
| InChI Key: | IEFNOLTZLVHFES-UHFFFAOYSA-N |