4-[5-({2-[4-(3-chlorophenyl)piperazin-1-yl]-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-(3-chlorophenyl)piperazin-1-yl]-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-(3-chlorophenyl)piperazin-1-yl]-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: | 4578-0524 |
| Compound Name: | 4-[5-({2-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid |
| Molecular Weight: | 570.09 |
| Molecular Formula: | C26 H24 Cl N5 O4 S2 |
| Smiles: | C(CC(O)=O)CN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)c2cccc(c2)[Cl])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8463 |
| logD: | 0.0327 |
| logSw: | -3.2488 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.13 |
| InChI Key: | UBXAGPLBVVLGOW-UHFFFAOYSA-N |