4-{5-[(2-{[2-(2-hydroxyethoxy)ethyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
Chemical Structure Depiction of
4-{5-[(2-{[2-(2-hydroxyethoxy)ethyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
4-{5-[(2-{[2-(2-hydroxyethoxy)ethyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
Compound characteristics
| Compound ID: | 5756-0243 |
| Compound Name: | 4-{5-[(2-{[2-(2-hydroxyethoxy)ethyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C20 H22 N4 O6 S2 |
| Smiles: | C(CC(O)=O)CN1C(/C(=C/C2=C(NCCOCCO)N=C3C=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6526 |
| logD: | -3.4662 |
| logSw: | -1.2128 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.859 |
| InChI Key: | ZVQIAOUMRGSPEO-UHFFFAOYSA-N |