3-[5-({2-[4-(4-methoxyphenyl)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]propanoic acid
Chemical Structure Depiction of
3-[5-({2-[4-(4-methoxyphenyl)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]propanoic acid
3-[5-({2-[4-(4-methoxyphenyl)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]propanoic acid
Compound characteristics
| Compound ID: | 4578-0605 |
| Compound Name: | 3-[5-({2-[4-(4-methoxyphenyl)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]propanoic acid |
| Molecular Weight: | 565.67 |
| Molecular Formula: | C27 H27 N5 O5 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CCC(O)=O)C(=S)S3)=O)C(N2C=1)=O)N1CCN(CC1)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3178 |
| logD: | -0.2148 |
| logSw: | -2.4251 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.193 |
| InChI Key: | MSWYDYIREHPTPJ-UHFFFAOYSA-N |