4-(5-{[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Chemical Structure Depiction of
4-(5-{[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
4-(5-{[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Compound characteristics
| Compound ID: | Y070-4204 |
| Compound Name: | 4-(5-{[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid |
| Molecular Weight: | 485.51 |
| Molecular Formula: | C22 H16 F N3 O5 S2 |
| Smiles: | C(CC(O)=O)CN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)Oc2ccc(cc2)F)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.222 |
| logD: | -0.5916 |
| logSw: | -2.6283 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.58 |
| InChI Key: | NLROXGAHZHXNRJ-UHFFFAOYSA-N |