6-(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)hexanoic acid
Chemical Structure Depiction of
6-(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)hexanoic acid
6-(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)hexanoic acid
Compound characteristics
| Compound ID: | 4578-0452 |
| Compound Name: | 6-(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)hexanoic acid |
| Molecular Weight: | 576.74 |
| Molecular Formula: | C30 H32 N4 O4 S2 |
| Smiles: | C(CCC(O)=O)CCN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCC(CC2)Cc2ccccc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6083 |
| logD: | 1.7801 |
| logSw: | -4.3547 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.598 |
| InChI Key: | AUVPPHVDZOVXEE-UHFFFAOYSA-N |