6-{5-[(2-{[(furan-2-yl)methyl]amino}-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-{[(furan-2-yl)methyl]amino}-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-{[(furan-2-yl)methyl]amino}-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: | 4578-0233 |
| Compound Name: | 6-{5-[(2-{[(furan-2-yl)methyl]amino}-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: | 512.61 |
| Molecular Formula: | C24 H24 N4 O5 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CCCCCC(O)=O)C(=S)S3)=O)C(N2C=1)=O)NCc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 2.649 |
| logD: | -0.1792 |
| logSw: | -2.8923 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.087 |
| InChI Key: | HLAOUQAQTYIYEI-UHFFFAOYSA-N |