4-(4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Chemical Structure Depiction of
4-(4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
4-(4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Compound characteristics
| Compound ID: | Y070-0835 |
| Compound Name: | 4-(4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C21 H22 N4 O4 S2 |
| Smiles: | C1CCN(CC1)C1=C(/C=C2/C(N(CCCC(O)=O)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6274 |
| logD: | -1.1862 |
| logSw: | -1.9538 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.87 |
| InChI Key: | BIISLFOSEBJGPF-UHFFFAOYSA-N |