3-(5-{[2-(2-fluorophenoxy)-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-(2-fluorophenoxy)-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-(2-fluorophenoxy)-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: | Y070-4208 |
| Compound Name: | 3-(5-{[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 471.48 |
| Molecular Formula: | C21 H14 F N3 O5 S2 |
| Smiles: | C(CN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)Oc2ccccc2F)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8729 |
| logD: | -0.6597 |
| logSw: | -2.3438 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.667 |
| InChI Key: | JJGCGZURZFKZHN-UHFFFAOYSA-N |