4-(5-{[2-(4-benzylpiperidin-1-yl)-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-(4-benzylpiperidin-1-yl)-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-(4-benzylpiperidin-1-yl)-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: | 4578-0451 |
| Compound Name: | 4-(5-{[2-(4-benzylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid |
| Molecular Weight: | 548.68 |
| Molecular Formula: | C28 H28 N4 O4 S2 |
| Smiles: | C(CC(O)=O)CN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCC(CC2)Cc2ccccc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5982 |
| logD: | 0.7846 |
| logSw: | -3.7403 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.598 |
| InChI Key: | UIAYUHPQABFRMO-UHFFFAOYSA-N |