3-{4-oxo-5-[(4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{4-oxo-5-[(4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
3-{4-oxo-5-[(4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y070-3235 |
| Compound Name: | 3-{4-oxo-5-[(4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 499.58 |
| Molecular Formula: | C22 H17 N3 O5 S3 |
| Smiles: | C1CS(CC1N1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)Oc2ccccc2)SC1=S)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8569 |
| logD: | 1.8569 |
| logSw: | -2.4001 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 76.605 |
| InChI Key: | VKYYOLSNNYSFEO-CQSZACIVSA-N |