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 |