3-[5-({2-[4-(3-chlorophenyl)piperazin-1-yl]-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-(3-chlorophenyl)piperazin-1-yl]-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-(3-chlorophenyl)piperazin-1-yl]-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: | 4578-0539 |
| Compound Name: | 3-[5-({2-[4-(3-chlorophenyl)piperazin-1-yl]-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: | 570.09 |
| Molecular Formula: | C26 H24 Cl N5 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCC(O)=O)C(=S)S1)=O)C2=O)N1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7637 |
| logD: | 0.2311 |
| logSw: | -3.159 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.151 |
| InChI Key: | OYIZKLUQPUVYMV-UHFFFAOYSA-N |