4-[5-({2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methyl-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]-7-methyl-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]-7-methyl-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: | 4578-0557 |
| Compound Name: | 4-[5-({2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid |
| Molecular Weight: | 584.12 |
| Molecular Formula: | C27 H26 Cl N5 O4 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CCCC(O)=O)C(=S)S3)=O)C(N2C=1)=O)N1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1505 |
| logD: | 0.3369 |
| logSw: | -3.3152 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.649 |
| InChI Key: | ZSJRBRLIBAEOPX-UHFFFAOYSA-N |