3-(5-{[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | Y070-3817 |
| Compound Name: | 3-(5-{[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C23 H19 N3 O5 S2 |
| Smiles: | Cc1cc(C)cc(c1)OC1=C(/C=C2/C(N(CCC(O)=O)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6226 |
| logD: | 0.09 |
| logSw: | -2.6607 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.58 |
| InChI Key: | HYQOSKUCZBWOQQ-UHFFFAOYSA-N |