3-{(5Z)-4-oxo-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]amino}-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-{(5Z)-4-oxo-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
3-{(5Z)-4-oxo-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]amino}-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: | 4618-0543 |
| Compound Name: | 3-{(5Z)-4-oxo-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C21 H22 N4 O5 S3 |
| Smiles: | C1CC(CNC2=C(/C=C3/C(N(C4CCS(C4)(=O)=O)C(=S)S3)=O)C(N3C=CC=CC3=N2)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.0972 |
| logD: | 0.097 |
| logSw: | -1.5577 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.498 |
| InChI Key: | DDEVCUOVRQDDQR-UHFFFAOYSA-N |