3-[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]propanoic acid
Chemical Structure Depiction of
3-[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]propanoic acid
3-[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]propanoic acid
Compound characteristics
| Compound ID: | 4578-0572 |
| Compound Name: | 3-[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]propanoic acid |
| Molecular Weight: | 551.64 |
| Molecular Formula: | C26 H25 N5 O5 S2 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C1=C(/C=C2/C(N(CCC(O)=O)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0136 |
| logD: | -0.519 |
| logSw: | -2.4098 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.674 |
| InChI Key: | BABHELLVUCMRFQ-UHFFFAOYSA-N |