6-{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}hexanoic acid
Chemical Structure Depiction of
6-{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}hexanoic acid
6-{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}hexanoic acid
Compound characteristics
| Compound ID: | 5756-0242 |
| Compound Name: | 6-{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}hexanoic acid |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C22 H26 N4 O6 S2 |
| Smiles: | C(CCC(O)=O)CCN1C(/C(=C/C2=C(NCCOCCO)N=C3C=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3575 |
| logD: | -2.4707 |
| logSw: | -1.5391 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.859 |
| InChI Key: | AZBLGAWWKBNWIZ-UHFFFAOYSA-N |