3-(5-{[2-(4-fluorophenoxy)-9-methyl-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-(4-fluorophenoxy)-9-methyl-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-(4-fluorophenoxy)-9-methyl-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: | Y070-4277 |
| Compound Name: | 3-(5-{[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 485.51 |
| Molecular Formula: | C22 H16 F N3 O5 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCC(O)=O)C(=S)S1)=O)C2=O)Oc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.1394 |
| logD: | -0.3932 |
| logSw: | -2.5399 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.601 |
| InChI Key: | UXHLYEIYQYKYBX-UHFFFAOYSA-N |