6-(5-{[2-(4-ethylpiperazin-1-yl)-7-methyl-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-ethylpiperazin-1-yl)-7-methyl-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-ethylpiperazin-1-yl)-7-methyl-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: | 4578-0509 |
| Compound Name: | 6-(5-{[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid |
| Molecular Weight: | 529.68 |
| Molecular Formula: | C25 H31 N5 O4 S2 |
| Smiles: | CCN1CCN(CC1)C1=C(/C=C2/C(N(CCCCCC(O)=O)C(=S)S2)=O)C(N2C=C(C)C=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1045 |
| logD: | 2.1045 |
| logSw: | -2.1787 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.925 |
| InChI Key: | OHWXCXPIYYSYJB-UHFFFAOYSA-N |