4-[5-({2-[4-(4-methoxyphenyl)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-(4-methoxyphenyl)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-(4-methoxyphenyl)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: | 4578-0573 |
| Compound Name: | 4-[5-({2-[4-(4-methoxyphenyl)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: | 565.67 |
| Molecular Formula: | C27 H27 N5 O5 S2 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C1=C(/C=C2/C(N(CCCC(O)=O)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3666 |
| logD: | -0.447 |
| logSw: | -2.498 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.674 |
| InChI Key: | PEIPVMBQYLGRIF-UHFFFAOYSA-N |