3-[5-({2-[(2-hydroxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[5-({2-[(2-hydroxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1lambda~6~-thiolane-1,1-dione
3-[5-({2-[(2-hydroxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | 4618-0104 |
| Compound Name: | 3-[5-({2-[(2-hydroxyethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 466.55 |
| Molecular Formula: | C18 H18 N4 O5 S3 |
| Smiles: | C1CS(CC1N1C(/C(=C/C2=C(NCCO)N=C3C=CC=CN3C2=O)SC1=S)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.705 |
| logD: | -0.705 |
| logSw: | -1.4218 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.613 |
| InChI Key: | SLHPFJNRJNZYMB-LLVKDONJSA-N |