[5-({2-[4-(ethoxycarbonyl)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]acetic acid
Chemical Structure Depiction of
[5-({2-[4-(ethoxycarbonyl)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]acetic acid
[5-({2-[4-(ethoxycarbonyl)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]acetic acid
Compound characteristics
| Compound ID: | 5815-0068 |
| Compound Name: | [5-({2-[4-(ethoxycarbonyl)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]acetic acid |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C22 H23 N5 O6 S2 |
| Smiles: | CCOC(N1CCN(CC1)C1=C(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6689 |
| logD: | -2.45 |
| logSw: | -1.3098 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.692 |
| InChI Key: | VAENTTNHLBHAKL-UHFFFAOYSA-N |